SCHEMBL19962134

SCHEMBL19962134

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(Cl)cc1)c1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
NOS2 P35228 1/20 0.34
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
AVPR1A P37288 3/20 0.33
CNR1 P21554 2/20 0.33
OXTR P30559 1/20 0.33
CNR2 P34972 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
FOLH1 Q04609 1/20 0.33
PYGL P06737 3/20 0.32

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
SCHEMBL19962055 0.96 MAPT (0.34) ALDH1A1LMNANOS2KMT2ACA12
SCHEMBL19962156 0.91 PSMB5 (0.35) KMT2ACA12CA7CA9CA14
SCHEMBL19969154 0.91 PSMB5 (0.35) KMT2ACA12CA7CA9CA14
SCHEMBL19962136 0.90 CA12 (0.35) ALDH1A1LMNACA12CA7CA9
SCHEMBL19969234 0.90 CA12 (0.41) ALDH1A1CA12CA7CA9CA14
SCHEMBL18179923 0.90 CA12 (0.41) ALDH1A1CA12CA7CA9CA14
SCHEMBL18180411 0.88 ALDH1A1 (0.36) ALDH1A1LMNAKMT2ACA12CA7
SCHEMBL18180321 0.88 F2 (0.37) CA12CA7CA9CA14KDM1A
SCHEMBL18180124 0.88 BMP1 (0.40) KMT2ACA12CA7CA9CA14
SCHEMBL19962051 0.87 KDM1A (0.38) CA12CA7CA9CA14KDM1A

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 ALDH1A1 2545/4885LMNA 3382/4885NOS2 2183/4885

“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.