SCHEMBL17063572

SCHEMBL17063572

COc1c(Cl)ccc(-c2nnc(SCCC(=O)O)o2)c1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
THRB P10828 2/20 0.50
MAPT P10636 1/20 0.50
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TSHR P16473 1/20 0.44
ALDH1A1 P00352 6/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 3/20 0.43
ALOX15 P16050 2/20 0.43
NPC1 O15118 2/20 0.43
MAPK1 P28482 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GLA P06280 1/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL17078196 0.95 TP53 (0.59) TP53SMN1; SMN2THRBMAPTHSD17B10
SCHEMBL17068773 0.91 SMN1; SMN2 (0.53) TP53SMN1; SMN2MAPTHSD17B10TSHR
SCHEMBL17078198 0.84 TP53 (0.47) TP53SMN1; SMN2MAPTHSD17B10TSHR
SCHEMBL17063588 0.83 SMN1; SMN2 (0.73) TP53SMN1; SMN2THRBMAPTHSD17B10
SCHEMBL17063590 0.81 SMN1; SMN2 (0.73) TP53SMN1; SMN2THRBMAPTHSD17B10
SCHEMBL17063600 0.79 SMN1; SMN2 (0.78) TP53SMN1; SMN2THRBMAPTHSD17B10
SCHEMBL17063579 0.79 SMN1; SMN2 (1.00) TP53SMN1; SMN2THRBMAPTHSD17B10
SCHEMBL17063585 0.77 MAPT (0.61) TP53SMN1; SMN2THRBMAPTHSD17B10
SCHEMBL21434766 0.77 SMN1; SMN2 (0.64) TP53SMN1; SMN2THRBMAPTHSD17B10
SCHEMBL17063578 0.77 TP53 (0.78) TP53SMN1; SMN2THRBMAPTHSD17B10

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-3116502-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS The Regents Of The University Of Michigan (US) 2017-01-18 EP disclosed
WO-2015138326-A1 METHODS AND COMPOSITIONS FOR INHIBITING RHO/MRTF-MEDIATED DISEASES AND CONDITIONS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-09-17 WO disclosed
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
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
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 TP53 1126/4885SMN1; SMN2 3070/4885THRB 1319/4885

“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.