SCHEMBL5847224

SCHEMBL5847224

Nc1c[c]cc(CC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA5 P31644 3/20 0.42
▸ GABRB2 P47870 3/20 0.42
▸ GABRP O00591 2/20 0.42
▸ GABRD O14764 2/20 0.42
▸ GABRA1 P14867 2/20 0.42
▸ GABRB1 P18505 2/20 0.42
▸ GABRG2 P18507 2/20 0.42
▸ GABRB3 P28472 2/20 0.42
▸ GABRA3 P34903 2/20 0.42
▸ GABRA2 P47869 2/20 0.42
▸ GABRA4 P48169 2/20 0.42
▸ GABRE P78334 2/20 0.42
▸ GABRA6 Q16445 2/20 0.42
▸ GABRG1 Q8N1C3 2/20 0.42
▸ GABRG3 Q99928 2/20 0.42
▸ GABRQ Q9UN88 2/20 0.42
▸ AKR1B1 P15121 2/20 0.40
▸ HSD17B10 Q99714 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL298153 0.85 AKR1B1 (0.48) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL1569828 0.84 CA2 (0.41) KDM4EHPGDALDH1A1NFKB1CA2
SCHEMBL5846956 0.78 CA2 (0.48) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL5193481 0.76 GABRP (0.48) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL1000178 0.76 GABRP (0.48) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL1510148 0.72 RXRA (0.50) AKR1B1MAPTMEN1KMT2ACYP1A2
SCHEMBL4622707 0.72 AKR1B1 (0.48) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL27443592 0.72 — —
SCHEMBL8862011 0.69 CA2 (0.48) GABRA5GABRB2GABRPGABRDGABRA1
SCHEMBL166538 0.69 AKR1B1 (0.58) GABRA5GABRB2GABRPGABRDGABRA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015223-B1 Substituted polycyclic aryl and heteroaryl 1,2,4-triazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 — — US claimed
US-7015230-B1 Substituted polycyclic aryl and heteroaryl uracils useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2006-03-21 — — US claimed
EP-1586565-A1 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade Pharmacia Corporation (US) 2005-10-19 — — EP claimed
US-20050165021-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-07-28 — — US claimed
US-20050165062-A1 Substituted polycyclic aryl and heteroaryl pyridones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-07-28 — — US claimed
US-20050153965-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-07-14 — — US claimed
US-6908919-B2 Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-06-21 — — US claimed
US-6906068-B1 Substituted polycyclic aryl and heteroaryl 1,2,4 - triazinones useful as anticoagulants PHARMACIA CORPORATION (US) 2005-06-14 — — US claimed
US-6867217-B1 Substituted polycyclic aryl and heteroaryl pyridones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-03-15 — — US claimed
US-20050054643-A1 Substituted polycyclic aryl and heteroaryl pyrimidinones useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2005-03-10 — — US claimed
WO-2001087854-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 — — WO claimed
WO-2001087852-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-11-22 — — WO claimed
WO-2001079155-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 1,4-QUINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-25 — — WO claimed
WO-2001077079-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 — — WO claimed
WO-2001077097-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 — — WO claimed
WO-2001068605-A1 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-09-20 — — WO claimed
WO-2000069832-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRYMIDINONES USEFUL AS ANTICOAGULANTS PHARMACIA CORPORATION (US) 2000-11-23 — — WO claimed
WO-2000069826-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2000-11-23 — — WO claimed
WO-2000069833-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS AS ANTICOAGULATIVE AGENTS PHARMACIA CORPORATION (US) 2000-11-23 — — WO claimed
WO-2000069834-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2000-11-23 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050165062-A1 Substituted polycyclic aryl and heteroaryl pyridones useful for selective inhibition of the coagulation cascade TFPI, PLAT, TFPI2 GABRA5 2062/4885GABRB2 2943/4885GABRP 2197/4885
US-20050165021-A1 Polycyclic aryl and heteroaryl substituted 4-pyrones useful for selective inhibition of the coagulation cascade TFPI, PLAT, F2 GABRA5 2311/4885GABRB2 2845/4885GABRP 2117/4885
US-20050153965-A1 Substituted polycyclic aryl and heteroaryl pyridines useful for selective inhibition of the coagulation cascade TFPI, F2, PLAT GABRA5 2441/4885GABRB2 2661/4885GABRP 1322/4885
US-20050054643-A1 Substituted polycyclic aryl and heteroaryl pyrimidinones useful for selective inhibition of the coagulation cascade TFPI, PLAT, SERPINC1 GABRA5 1303/4885GABRB2 2149/4885GABRP 1385/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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