SCHEMBL4671840

SCHEMBL4671840

O=C(O)C(O)=CC(=O)c1cscc1S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
CYP3A4 P08684 1/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.37
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.32
KIF18A Q8NI77 1/20 0.32
MAOB P27338 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL4671836 1.00 MAPT (0.46) MAPTALDH1A1MAPK1CYP3A4POLB
SCHEMBL4673354 0.88 ALDH1A1 (0.40) MAPTALDH1A1POLBKMT2AKDM4E
SCHEMBL4673350 0.88 ALDH1A1 (0.40) MAPTALDH1A1POLBKMT2AKDM4E
SCHEMBL4672646 0.87 MMP1 (0.38) MAPTAKR1C3AKR1C2AKR1C1
SCHEMBL4672643 0.87 MMP1 (0.38) MAPTAKR1C3AKR1C2AKR1C1
SCHEMBL7235135 0.81 TSHR (0.36) MAPTALDH1A1MAPK1CYP3A4KMT2A
SCHEMBL7235138 0.81 TSHR (0.36) MAPTALDH1A1MAPK1CYP3A4KMT2A
SCHEMBL4670866 0.80 ALDH1A1 (0.40) MAPTALDH1A1MAPK1CYP3A4POLB
SCHEMBL4670858 0.80 ALDH1A1 (0.40) MAPTALDH1A1MAPK1CYP3A4POLB
SCHEMBL4674114 0.79 ALDH1A1 (0.39) MAPTALDH1A1MAPK1CYP3A4POLB

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
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-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 205/4885ALDH1A1 980/4885MAPK1 2560/4885

“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.