SCHEMBL19969186

SCHEMBL19969186

COc1ccc(N(C)C(=O)C(Cc2ccccc2)NC(=O)NS(=O)(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
PYGL P06737 2/20 0.44
KMT2A Q03164 1/20 0.43
FPR2 P25090 1/20 0.43
BMP1 P13497 2/20 0.42
MMP9 P14780 3/20 0.41
MMP8 P22894 2/20 0.41
MMP14 P50281 1/20 0.41
ALDH1A1 P00352 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
KDM1A O60341 1/20 0.40
MAOA P21397 1/20 0.40
MMP2 P08253 1/20 0.40
CA2 P00918 1/20 0.39

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
SCHEMBL18180291 1.00 CA12 (0.49) CA12CA7CA9CA14PYGL
SCHEMBL19969143 0.94 CA12 (0.46) CA12CA7CA9CA14PYGL
SCHEMBL18180337 0.92 FPR2 (0.50) CA12CA7CA9CA14PYGL
SCHEMBL18180204 0.92 FPR2 (0.50) CA12CA7CA9CA14PYGL
SCHEMBL19969140 0.92 FPR2 (0.50) CA12CA7CA9CA14PYGL
SCHEMBL18180298 0.92 FPR2 (0.50) CA12CA7CA9CA14PYGL
SCHEMBL18180105 0.90 FPR2 (0.44) CA12CA7CA9CA14PYGL
SCHEMBL18180117 0.90 FPR2 (0.44) CA12CA7CA9CA14PYGL
SCHEMBL19969119 0.90 FPR2 (0.44) CA12CA7CA9CA14PYGL
SCHEMBL18181406 0.88 FPR2 (0.49) CA12CA7CA9CA14PYGL

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 CA12 4684/4885CA7 3975/4885CA9 4244/4885

“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.