SCHEMBL4136984

SCHEMBL4136984

CC1=NS(=O)(=O)c2cc(-c3nc4cc(C(=O)O)ccc4n3C3CCCCC3)ccc2N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
IDH1 O75874 2/20 0.42
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
HCAR3 P49019 3/20 0.41
RPS6KB1 P23443 1/20 0.40
PTGER4 P35408 5/20 0.40
CYP3A4 P08684 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL4125436 0.88 L3MBTL1 (0.42) L3MBTL1IDH1RPS6KB1PTGER4CYP3A4
SCHEMBL4128261 0.83 ALDH1A1 (0.37) L3MBTL1RPS6KB1CYP3A4CYP1A2CYP2D6
SCHEMBL14613999 0.79 L3MBTL1 (0.72) L3MBTL1IDH1HSD17B10GAAHCAR3
SCHEMBL14382664 0.79 L3MBTL1 (0.71) L3MBTL1IDH1HSD17B10GAAHCAR3
SCHEMBL14613993 0.78 L3MBTL1 (0.71) L3MBTL1IDH1HSD17B10GAAHCAR3
SCHEMBL14382774 0.78 L3MBTL1 (0.70) L3MBTL1IDH1HSD17B10GAAHCAR3
SCHEMBL4129026 0.77 L3MBTL1 (0.58) L3MBTL1IDH1HSD17B10GAAHCAR3
SCHEMBL27574019 0.77 L3MBTL1 (0.69) L3MBTL1IDH1HSD17B10GAAHCAR3
SCHEMBL27672880 0.77 L3MBTL1 (0.69) L3MBTL1IDH1HSD17B10GAAHCAR3
SCHEMBL14382599 0.76 L3MBTL1 (0.65) L3MBTL1IDH1HSD17B10GAAHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US claimed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 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 (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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 L3MBTL1 1221/4885IDH1 157/4885HSD17B10 868/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 L3MBTL1 1221/4885IDH1 157/4885HSD17B10 868/4885

“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.