SCHEMBL4094266

SCHEMBL4094266

CC(C)(C(=O)NC1CC1)c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.47
GFER P55789 2/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 3/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM3 P20309 4/20 0.44
CHRM2 P08172 3/20 0.44
CHRM1 P11229 3/20 0.44
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
HDAC3 O15379 1/20 0.40

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
SCHEMBL2019847 0.79 EPHX2 (0.43) KMT2ACHRM3CHRM2CHRM1
SCHEMBL4099272 0.78 POLB (0.44) RAB9AHPGDALDH1A1GAANPC1
SCHEMBL2986833 0.77 HDAC1 (0.39) ALDH1A1GAATSHRKMT2ACHRM3
SCHEMBL4092570 0.74 RAB9A (0.39) RAB9AALDH1A1GAANPC1MEN1
SCHEMBL1492740 0.72 DAO (0.43) RAB9AALDH1A1NPC1TSHRMEN1
SCHEMBL2654268 0.71 ALDH1A1 (0.41) RAB9AALDH1A1GAATSHRCHRM3
SCHEMBL5758336 0.71 MAPT (0.48) RAB9ANPC1TSHRKMT2AMAPT
Hydrochloric Acid SCHEMBL9402263 0.71 DAO (0.42) RAB9AALDH1A1NPC1TSHRMEN1
SCHEMBL9235584 0.71 CNR1 (0.40) RAB9AALDH1A1NPC1TSHRMEN1
SCHEMBL25464172 0.70 SSTR4 (0.44) RAB9AHPGDALDH1A1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101400660-A Triazole derivative or salt thereof ASTELLAS PHARMA INC (JP) 2009-04-01 CN disclosed
US-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-26 US disclosed
EP-1995243-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 EP 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-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF HSD11B1, HSD11B2, HSD17B1 RAB9A 3659/4885HPGD 241/4885ALDH1A1 389/4885

“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.