SCHEMBL13990447

SCHEMBL13990447

O=C(O)c1cccc2c1oc1c(C(=O)O)ccc(-c3cccc(Cl)c3)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DCLRE1B Q9H816 1/20 0.44
▸ MCL1 Q07820 2/20 0.42
▸ BAD Q92934 2/20 0.42
▸ PTPN22 Q9Y2R2 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ TYMS P04818 1/20 0.40
▸ CA12 O43570 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ GABRP O00591 1/20 0.39
▸ GABRD O14764 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRB1 P18505 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ GABRA4 P48169 1/20 0.39
▸ GABRE P78334 1/20 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
SCHEMBL13990443 0.91 TYMS (0.40) DCLRE1BPTPN22HSP90AA1TYMSDHODH
SCHEMBL13990442 0.86 DHODH (0.48) TYMSDHODHL3MBTL1CYSLTR1ALOX15
SCHEMBL13990449 0.86 FOLH1 (0.47) TYMSDHODHL3MBTL1CYSLTR1
SCHEMBL13990446 0.85 GPR35 (0.51) DCLRE1BTYMSGABRPGABRDGABRA1
SCHEMBL13990441 0.81 MCL1 (0.45) MCL1BADPTPN22BCL2L1RORB
SCHEMBL13990444 0.81 GPR35 (0.41) DCLRE1BTYMSDHODHNPC1RAB9A
SCHEMBL13990451 0.79 TYMS (0.44) HSP90AA1TYMSDHODHL3MBTL1CYSLTR1
SCHEMBL13990445 0.78 RXRA (0.44) MCL1BADTYMSDHODHCYSLTR1
SCHEMBL11619785 0.77 ALOX15 (0.51) DCLRE1BMCL1BADPTPN22CA12
SCHEMBL13990415 0.77 AKR1C3 (0.52) NPC1RAB9AL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080319175-A1 Transthyretin Stabilization THE SCRIPPS RESEARCH INSTITUTE (US) 2008-12-25 — — US disclosed
US-20080319175-A1 Transthyretin Stabilization THE SCRIPPS RESEARCH INSTITUTE (US) 2008-12-25 — — US 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 (1 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-20080319175-A1 Transthyretin Stabilization TTR, TTPA, ALB DCLRE1B 1609/4885MCL1 2542/4885BAD 3383/4885

“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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