SCHEMBL19962045

SCHEMBL19962045

CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)NS(=O)(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)N(C)c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.39
OPRM1 P35372 1/20 0.36
USP30 Q70CQ3 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KDR P35968 1/20 0.34
ACACB O00763 1/20 0.34
SERPINE1 P05121 1/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33

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
SCHEMBL19962089 0.95 FPR2 (0.36) FPR2OPRM1USP30ALDH1A1HPGD
SCHEMBL18180124 0.90 BMP1 (0.40) FPR2BACE1CA12CA7CA9
SCHEMBL19962136 0.88 CA12 (0.35) ALDH1A1CTSDBACE1CA12CA7
SCHEMBL18180411 0.86 ALDH1A1 (0.36) ALDH1A1CTSDBACE1CA12CA7
SCHEMBL19962134 0.86 ALDH1A1 (0.34) ALDH1A1CA12CA7CA9CA14
SCHEMBL18180117 0.86 FPR2 (0.44) FPR2ALDH1A1CA12CA7CA9
SCHEMBL19969119 0.86 FPR2 (0.44) FPR2ALDH1A1CA12CA7CA9
SCHEMBL18180105 0.86 FPR2 (0.44) FPR2ALDH1A1CA12CA7CA9
SCHEMBL19969234 0.86 CA12 (0.41) ALDH1A1CA12CA7CA9CA14
SCHEMBL18179923 0.86 CA12 (0.41) ALDH1A1CA12CA7CA9CA14

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 2 patents. 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
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 4717/4885OPRM1 3420/4885USP30 2900/4885

“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.