SCHEMBL19969348

SCHEMBL19969348

COc1ccc(N(C)C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)NC(=O)NC(Cc2ccccc2)C(=O)N(C)c2ccc3scnc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.40
BMP1 P13497 2/20 0.39
KMT2A Q03164 1/20 0.38
PYGL P06737 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX15 P16050 1/20 0.37
MMP2 P08253 2/20 0.37
MMP9 P14780 2/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
PDE10A Q9Y233 2/20 0.36
CA12 O43570 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
POLB P06746 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL18179985 1.00 FPR2 (0.40) FPR2BMP1KMT2APYGLNPC1
SCHEMBL18179970 0.94 MMP3 (0.37) PYGLALDH1A1MMP9KDM1AMAOA
SCHEMBL19969227 0.94 MMP3 (0.37) PYGLALDH1A1MMP9KDM1AMAOA
SCHEMBL18180204 0.88 FPR2 (0.50) FPR2BMP1KMT2APYGLALDH1A1
SCHEMBL19969140 0.88 FPR2 (0.50) FPR2BMP1KMT2APYGLALDH1A1
SCHEMBL18180298 0.88 FPR2 (0.50) FPR2BMP1KMT2APYGLALDH1A1
SCHEMBL19962011 0.88 PYGL (0.39) PYGLALDH1A1MMP2MMP9KDM1A
SCHEMBL18180337 0.88 FPR2 (0.50) FPR2BMP1KMT2APYGLALDH1A1
SCHEMBL18181264 0.86 FPR2 (0.42) FPR2KMT2ANPC1ALDH1A1PDE10A
SCHEMBL20007562 0.86 FPR2 (0.42) FPR2KMT2ANPC1ALDH1A1PDE10A

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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-15 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-20180072997-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2H, POLR2E FPR2 4717/4885BMP1 4168/4885KMT2A 3986/4885

“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.