SCHEMBL17068758

SCHEMBL17068758

C=C(O)CCSc1nnc(-c2ccc(Cl)cc2)o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
HSP90AA1 P07900 1/20 0.56
PTGS2 P35354 1/20 0.52
TP53 P04637 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPK1 P28482 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 2/20 0.48
USP2 O75604 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 4/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GLA P06280 1/20 0.47

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
SCHEMBL17068760 0.87 NPSR1 (0.60) HTTTP53SMN1; SMN2MAPK1NPC1
SCHEMBL17068791 0.86 TP53 (0.69) HTTHSP90AA1PTGS2TP53SMN1; SMN2
SCHEMBL17068761 0.86 SMN1; SMN2 (0.64) HTTHSP90AA1TP53SMN1; SMN2MAPK1
SCHEMBL17068768 0.84 GLA (0.64) HTTHSP90AA1PTGS2SMN1; SMN2MAPK1
SCHEMBL17068759 0.84 MAPT (0.57) TP53SMN1; SMN2NPC1RAB9APOLB
SCHEMBL17068755 0.83 NPC1 (0.65) HTTHSP90AA1TP53SMN1; SMN2MAPK1
SCHEMBL10364759 0.82 HTT (0.55) HTTHSP90AA1PTGS2TP53SMN1; SMN2
SCHEMBL17068762 0.77 HTT (0.68) HTTTP53SMN1; SMN2MAPK1NPC1
SCHEMBL27085583 0.77 NPSR1 (0.76) HTTPTGS2TP53SMN1; SMN2MAPK1
SCHEMBL17068753 0.76 MAPT (0.78) TP53SMN1; SMN2NPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2015-09-10 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-20150250769-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS RHOA, ARHGEF1, ARHGEF2 HTT 3545/4885HSP90AA1 382/4885PTGS2 1303/4885

“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.