SCHEMBL543987

SCHEMBL543987

Nc1sc(NC(=O)OCC2c3ccccc3-c3ccccc32)nc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
HSD17B10 Q99714 2/20 0.51
EPHX2 P34913 1/20 0.47
KMT2A Q03164 3/20 0.47
ADORA3 P0DMS8 3/20 0.47
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ADORA2B P29275 1/20 0.47
ALOX5 P09917 1/20 0.46
MDM4 O15151 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 2/20 0.42
FABP7 O15540 1/20 0.41
FABP5 Q01469 1/20 0.41
CTSK P43235 1/20 0.41

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
SCHEMBL10167010 0.89 EPHX2 (0.47) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL544511 0.87 EPHX2 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL544015 0.80 ALDH1A1 (0.77) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL5506429 0.78 FABP5 (0.41) ALDH1A1CYP1A2HSD17B10EPHX2KMT2A
SCHEMBL9072517 0.77 EPHX2 (0.48) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL569991 0.74 EPHX2 (0.50) EPHX2KMT2ALMNASMN1; SMN2MDM4
SCHEMBL22855749 0.73 KDM4E (0.61) ALDH1A1EPHX2KMT2ASMN1; SMN2MDM4
SCHEMBL8366872 0.73 EPHX2 (0.75) ALDH1A1EPHX2KMT2ASMN1; SMN2MAPT
SCHEMBL544732 0.72 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C9CYP2C19HSD17B10
SCHEMBL23813569 0.72 EPHX2 (0.45) ALDH1A1CYP1A2CYP2C19EPHX2KMT2A

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12440706-B2 Conjugated chemical inducers of degradation and methods of use GENENTECH, INC. (US) 2025-10-14 US disclosed
US-20230067037-A1 CONJUGATED CHEMICAL INDUCERS OF DEGRADATION AND METHODS OF USE GENENTECH, INC. (US) 2023-03-02 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 EP disclosed
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 US disclosed
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 US disclosed
US-8110568-B2 Inhibitors of IAP GENENTECH, INC. (US) 2012-02-07 US disclosed
US-8110568-B2 Inhibitors of IAP GENENTECH, INC. (US) 2012-02-07 US disclosed
US-8110568-B2 Inhibitors of IAP GENENTECH, INC. (US) 2012-02-07 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
CN-101035802-A Inhibitors of IAP GENENTECH INC (US) 2007-09-12 CN disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
EP-1778718-A1 INHIBITORS OF IAP Genentech, Inc. (US) 2007-05-02 EP disclosed
WO-2006014361-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2006-02-09 WO disclosed
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2006-01-19 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 (5 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-20230067037-A1 CONJUGATED CHEMICAL INDUCERS OF DEGRADATION AND METHODS OF USE ADRM1, SSB, FCER2 ALDH1A1 1290/4885CYP1A2 2267/4885CYP2C9 4027/4885
US-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 ALDH1A1 4132/4885CYP1A2 4837/4885CYP2C9 4878/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 ALDH1A1 4132/4885CYP1A2 4837/4885CYP2C9 4878/4885
US-20060014700-A1 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies BIRC5, BIRC2, XIAP ALDH1A1 2930/4885CYP1A2 4715/4885CYP2C9 4883/4885
US-12440706-B2 Conjugated chemical inducers of degradation and methods of use ADRM1, SSB, FCER2 ALDH1A1 1290/4885CYP1A2 2267/4885CYP2C9 4027/4885

“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.