SCHEMBL19999847

SCHEMBL19999847

CN(C(=O)[C@H](Cc1cc(F)cc(F)c1)NC(=O)NS(=O)(=O)NCc1ccccc1)c1ccc2scnc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA7 P43166 2/20 0.40
CA14 Q9ULX7 2/20 0.40
CA9 Q16790 1/20 0.40
ALDH1A1 P00352 2/20 0.33
PYGL P06737 1/20 0.33
CA1 P00915 1/20 0.32
ATM Q13315 1/20 0.32
KDR P35968 1/20 0.32
KDM1A O60341 1/20 0.32
MAOA P21397 1/20 0.32
MMP3 P08254 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
PDE10A Q9Y233 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL18181284 0.92 PYGL (0.33) CA12CA7CA14CA9PYGL
SCHEMBL18181427 0.92 NAMPT (0.37) KMT2ASCN9A
SCHEMBL19999853 0.91 KMT2A (0.35) KMT2ASMN1; SMN2SCN9A
SCHEMBL19999846 0.90 TAS1R3 (0.30) KDR
SCHEMBL20007636 0.90 MAPK1 (0.34) CA12CA9ALDH1A1PYGLCA1
SCHEMBL18181128 0.90 MAPK1 (0.34) CA12CA9ALDH1A1PYGLCA1
SCHEMBL18181437 0.89
SCHEMBL18181404 0.89 CA12 (0.33) CA12CA7CA14CA9
SCHEMBL18181401 0.89 TAS1R3 (0.31)
SCHEMBL18180271 0.89 SYK (0.31) PDE10A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286166-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2020-05-13 EP disclosed
US-10221129-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-03-05 US disclosed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 US disclosed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 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 (2 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-10221129-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H CA12 4778/4885CA7 4170/4885CA14 4361/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H CA12 4778/4885CA7 4170/4885CA14 4361/4885

“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.