SCHEMBL21084036

SCHEMBL21084036

Cc1ccccc1-c1ccc(S(=O)(=O)NC(C)(C)C)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
GHSR Q92847 2/20 0.42
PARG Q86W56 1/20 0.42
ALOX5AP P20292 7/20 0.40
FEN1 P39748 7/20 0.40
THRB P10828 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 3/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
PRF1 P14222 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 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
SCHEMBL21125785 0.82 ALDH1A1 (0.49) HPGDPARGALOX5APFEN1MAPT
SCHEMBL21124780 0.80 EDNRB (0.49) HPGDMAPTPRF1KDM4EMEN1
SCHEMBL28168244 0.76 CA1 (0.54) HPGDCA12CA1CA2CA9
SCHEMBL6964090 0.76 HPGD (0.50) HPGDGHSRTHRBCA12CA1
SCHEMBL28291689 0.76 MMP2 (0.46) HPGDGHSRCA12CA1CA2
Hydrochloric Acid SCHEMBL28290425 0.75 HPGD (0.53) HPGDGHSRTHRBCA12CA1
SCHEMBL21124781 0.75 HDAC6 (0.41) ALOX5APFEN1CA1CA2KDM4E
SCHEMBL11054324 0.74 KMT2A (0.43) HPGDPARGMAPTTP53KDM4E
SCHEMBL29726813 0.73 PARG (0.40) HPGDPARGALOX5APFEN1MAPT
SCHEMBL21124771 0.73 PARG (0.40) HPGDPARGALOX5APFEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
EP-3478672-B1 BIARYLMETHYL HETEROCYCLES UNIV MONTREAL (CA) 2024-04-10 EP disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-11407733-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-09 US disclosed
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2019-07-04 US disclosed
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES BRISTOL-MYERS SQUIBB COMPANY 2019-07-04 US disclosed
CN-109715615-A Biaryl methyl heterocycles 蒙特利尔大学 2019-05-03 CN 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 (4 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-11407733-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 HPGD 1032/4885GHSR 328/4885PARG 4504/4885
US-20190202808-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 HPGD 1032/4885GHSR 328/4885PARG 4504/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 HPGD 1032/4885GHSR 328/4885PARG 4504/4885
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 HPGD 1032/4885GHSR 328/4885PARG 4504/4885

“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.