SCHEMBL4676012

SCHEMBL4676012

O=C(C=C(O)c1nc[nH]n1)c1cscc1S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 2/20 0.31
CYP3A4 P08684 1/20 0.31
AKR1B1 P15121 1/20 0.30
PTGER3 P43115 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4672012 0.90 IKBKB (0.32) MAPTAKR1B1
SCHEMBL4673977 0.83 POLB (0.31) MAPTPOLBALDH1A1MAPK1CYP3A4
SCHEMBL4676996 0.83 MAPT (0.41) MAPTLMNAPOLBALDH1A1MAPK1
SCHEMBL4676053 0.81 NPSR1 (0.41) MAPTLMNAPOLBALDH1A1MAPK1
SCHEMBL4673071 0.81 ALDH1A1 (0.33) MAPTLMNAPOLBALDH1A1MEN1
SCHEMBL4671593 0.81 AKR1B1 (0.34) LMNAPOLBALDH1A1MAPK1CYP3A4
SCHEMBL4675358 0.79 ALDH1A1 (0.31) MAPTALDH1A1MAPK1CYP3A4AKR1B1
SCHEMBL4672361 0.79 ALDH1A1 (0.34) MAPTPOLBALDH1A1MAPK1CYP3A4
SCHEMBL4680017 0.79 ALDH1A1 (0.33) MAPTLMNAALDH1A1MAPK1CYP3A4
SCHEMBL4672762 0.78 NPC1 (0.31) MAPTALDH1A1MAPK1CYP3A4AKR1B1

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 5 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

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 205/4885LMNA 659/4885POLB 58/4885

“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.