SCHEMBL17063603

SCHEMBL17063603

CC(CCCSc1nnc(-c2ccc(Cl)cc2Cl)o1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.67
TP53 P04637 4/20 0.67
HSD17B10 Q99714 3/20 0.61
NPC1 O15118 10/20 0.60
RAB9A P51151 10/20 0.60
HPGD P15428 8/20 0.60
ALDH1A1 P00352 7/20 0.60
ALOX15 P16050 3/20 0.60
MAPK1 P28482 2/20 0.60
TSHR P16473 4/20 0.57
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
PKM P14618 2/20 0.49
KDM4E B2RXH2 3/20 0.45
LMNA P02545 3/20 0.45

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
SCHEMBL17063597 0.94 SMN1; SMN2 (0.70) SMN1; SMN2TP53HSD17B10NPC1RAB9A
SCHEMBL17063608 0.83 SMN1; SMN2 (0.86) SMN1; SMN2TP53HSD17B10NPC1RAB9A
SCHEMBL17063593 0.82 SMN1; SMN2 (0.84) SMN1; SMN2TP53HSD17B10NPC1RAB9A
SCHEMBL17068774 0.82 SMN1; SMN2 (0.73) SMN1; SMN2TP53HSD17B10NPC1RAB9A
SCHEMBL17068775 0.81 SMN1; SMN2 (0.71) SMN1; SMN2TP53HSD17B10NPC1RAB9A
SCHEMBL17063579 0.81 SMN1; SMN2 (1.00) SMN1; SMN2TP53HSD17B10NPC1RAB9A
SCHEMBL21434665 0.80 SMN1; SMN2 (0.52) SMN1; SMN2TP53HSD17B10NPC1RAB9A
SCHEMBL17063598 0.80 SMN1; SMN2 (0.69) SMN1; SMN2TP53HSD17B10NPC1RAB9A
SCHEMBL17063589 0.79 SMN1; SMN2 (0.67) SMN1; SMN2TP53HSD17B10NPC1RAB9A
SCHEMBL17068783 0.78 SMN1; SMN2 (0.77) SMN1; SMN2TP53HSD17B10NPC1RAB9A

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 3 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

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 SMN1; SMN2 3070/4885TP53 1126/4885HSD17B10 4007/4885

“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.