SCHEMBL4670636

SCHEMBL4670636

Cc1ccc(Cc2cc(C(=O)C=C(O)C(=O)O)[nH]n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
TP53 P04637 1/20 0.40
ALPL P05186 4/20 0.39
NOTUM Q6P988 1/20 0.37
POLB P06746 3/20 0.37
MAPK1 P28482 1/20 0.37
SRD5A2 P31213 1/20 0.35
HPGD P15428 1/20 0.34
CA9 Q16790 2/20 0.34
LMNA P02545 2/20 0.34
CA12 O43570 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
RAB9A P51151 1/20 0.34
RET P07949 1/20 0.33
KDR P35968 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4675551 0.88 HCAR2 (0.41) TP53HPGDRET
SCHEMBL4678377 0.88 KMT2A (0.43) ALPLCA9LMNACA12MEN1
SCHEMBL4678536 0.87 ALPL (0.39) ALPLCA9CA12ALDH1A1
SCHEMBL4671479 0.87 CA12 (0.39) MAPTALPLHPGDCA12KDM4E
SCHEMBL4675841 0.86 ALPL (0.42) MAPTTP53ALPLMAPK1CA9
SCHEMBL4676039 0.86 GAA (0.34) MAPTPOLBMAPK1HPGDLMNA
SCHEMBL4674016 0.80 MAPT (0.38) MAPTTP53ALPLNOTUMPOLB
SCHEMBL4672164 0.80 MAPT (0.36) MAPTTP53ALPLNOTUMPOLB
SCHEMBL4679618 0.79 HCAR2 (0.48) MAPTPOLBLMNAKDM4EALDH1A1
SCHEMBL23188912 0.78 NOTUM (0.42) MAPTTP53ALPLNOTUMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 US disclosed
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase FUJISHITA TOSHIO (JP) 2004-01-01 US disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 US disclosed
US-6620841-B1 Furan or benzofuran derivatives substituted with triazole; acquired immunodeficiency syndrome (AIDS) SHIONOGI & CO., LTD. (JP) 2003-09-16 US disclosed
CN-1335834-A Aromatic heterocyclic compounds having HIV integrase inhibitory activity SHIONOGI & CO (JP) 2002-02-13 CN disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 EP 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-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 MAPT 205/4885TP53 999/4885ALPL 1995/4885

“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.