SCHEMBL1708834

SCHEMBL1708834

CC1NC(=O)c2ccccc2S1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 5/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TNKS2 Q9H2K2 6/20 0.38
PBRM1 Q86U86 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
GSK3B P49841 1/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
TNKS O95271 2/20 0.36
PARP3 Q9Y6F1 2/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALOX15 P16050 1/20 0.35
MAPK10 P53779 1/20 0.35

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
SCHEMBL9635178 0.76 TNKS2 (0.42) TSHRL3MBTL1HPGDALDH1A1KDM4E
SCHEMBL9635252 0.73 TSHR (0.53) TSHRL3MBTL1HPGDALDH1A1KDM4E
SCHEMBL9635086 0.73 BRD4 (0.45) TSHRL3MBTL1HPGDALDH1A1KDM4E
SCHEMBL16711400 0.71 IDO1 (0.57) TSHRHPGDALDH1A1KDM4EHSD17B10
SCHEMBL338205 0.71 IDO1 (0.57) TSHRHPGDALDH1A1KDM4EHSD17B10
SCHEMBL16181708 0.71 IDO1 (0.57) TSHRHPGDALDH1A1KDM4EHSD17B10
SCHEMBL12661831 0.71 IDO1 (0.57) TSHRHPGDALDH1A1KDM4EHSD17B10
SCHEMBL13302892 0.69 ACHE (0.39) TSHRL3MBTL1HPGDALDH1A1KDM4E
SCHEMBL68578 0.69 ACHE (0.39) TSHRL3MBTL1HPGDALDH1A1KDM4E
SCHEMBL9636590 0.69 PARP1 (0.53) TSHRL3MBTL1HPGDALDH1A1KDM4E

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-20120088782-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-12 US disclosed
US-20100249157-A2 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 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 (2 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-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 TSHR 1995/4885L3MBTL1 1960/4885HPGD 1799/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 TSHR 1995/4885L3MBTL1 1960/4885HPGD 1799/4885

“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.