Sugi Predict

Sugi Predict / Compounds / SCHEMBL6285689

SCHEMBL6285689

SCHEMBL6285689

COC(=O)C(O)c1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ HIF1A Q16665 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ HTT P42858 6/20 0.43
▸ THRB P10828 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ MAPT P10636 6/20 0.42
▸ KMT2A Q03164 6/20 0.42
▸ LMNA P02545 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ POLB P06746 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ NPC1 O15118 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL6585309 0.86 ALDH1A1 (0.50) ALDH1A1HIF1AGAAHTTTHRB
SCHEMBL25393016 0.86 GAA (0.47) ALDH1A1HIF1AGAAHTTTHRB
SCHEMBL6284209 0.82 ALDH1A1 (0.50) ALDH1A1HIF1AGAAHTTTHRB
SCHEMBL5693765 0.79 ALDH1A1 (0.53) ALDH1A1HIF1AGAAHTTTHRB
SCHEMBL7273398 0.78 ALDH1A1 (0.46) ALDH1A1HIF1AGAAHTTTHRB
SCHEMBL4405560 0.78 ALDH1A1 (0.52) ALDH1A1HIF1AGAAHTTTHRB
SCHEMBL10777346 0.78 GAA (0.45) ALDH1A1HIF1AGAAHTTTHRB
SCHEMBL2854790 0.77 PSEN1 (0.47) ALDH1A1HTTMAPTKMT2ALMNA
SCHEMBL25269818 0.76 ALDH1A1 (0.43) ALDH1A1HIF1AGAAHTTTHRB
SCHEMBL27603190 0.76 ALDH1A1 (0.50) ALDH1A1HIF1AGAAHTTTHRB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6852761-B2 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION (US) 2005-02-08 — — US disclosed
US-20040138275-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-07-15 — — US disclosed
US-20030236231-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2003-12-25 — — US disclosed
US-6660885-B2 Serine protease inhibitor PHARMACIA CORPORATION 2003-12-09 — — US disclosed
US-20020025947-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2002-02-28 — — US disclosed
WO-2001068605-A1 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-09-20 — — WO disclosed

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

For each of this compound's patents that has machine-readable text (3 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-20030236231-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT ALDH1A1 2669/4885HIF1A 2108/4885GAA 1195/4885
US-20040138275-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT ALDH1A1 2669/4885HIF1A 2108/4885GAA 1195/4885
US-20020025947-A1 Polycyclic aryl and heteroaryl substituted benzenes useful for selective inhibition of the coagulation cascade TFPI, TFPI2, PLAT ALDH1A1 2669/4885HIF1A 2108/4885GAA 1195/4885

“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.