SCHEMBL342434

SCHEMBL342434

O=C(O)CNC1CCC(F)(F)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
EPHX2 P34913 1/20 0.40
KDM1A O60341 8/20 0.34
MAOA P21397 4/20 0.34
ALDH1A1 P00352 1/20 0.34
MAOB P27338 1/20 0.34
LMNA P02545 2/20 0.33
RCOR1 Q9UKL0 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD11B1 P28845 1/20 0.32
BLM P54132 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
SCHEMBL75440 0.80
SCHEMBL22687353 0.80 ITGB3 (0.41) ITGB3ITGA2BALDH1A1MEN1KMT2A
SCHEMBL1782023 0.80 LMNA (0.47) ITGB3ITGA2BEPHX2ALDH1A1LMNA
Methane SCHEMBL27880200 0.78
Bicarbonate SCHEMBL10725172 0.78 ITGB3 (0.41) ITGB3ITGA2BALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL7602448 0.78
SCHEMBL28956884 0.78
SCHEMBL515555 0.76 ALDH1A1 (0.47) EPHX2ALDH1A1MEN1KMT2A
SCHEMBL187018 0.76
SCHEMBL15553833 0.74 ALDH1A1 (0.45) ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121108015-A Synthesis method of Fmoc-L- (4, 4-difluorocyclohexyl) glycine 吉尔生物(北戴河新区)有限公司 2025-12-12 CN disclosed
CN-121108015-A Synthesis method of Fmoc-L- (4, 4-difluorocyclohexyl) glycine 吉尔生物(北戴河新区)有限公司 2025-12-12 CN disclosed
US-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-05-18 US disclosed
US-9040706-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2015-05-26 US disclosed
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8907092-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-12-09 US disclosed
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 EP disclosed
US-8835393-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-09-16 US disclosed
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2014-03-20 US disclosed
US-8609845-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2013-12-17 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
EP-1836201-A1 PYRROLIDINE INHIBITORS OF IAP Genentech, Inc. (US) 2007-09-26 EP disclosed
WO-2007106192-A2 INHIBITORS OF IAP GENENTECH, INC. (US) 2007-09-20 WO 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
EP-1778718-A1 INHIBITORS OF IAP Genentech, Inc. (US) 2007-05-02 EP disclosed
US-20060167066-A1 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2006-07-27 US disclosed
WO-2006069063-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2006-06-29 WO 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-20230151060-A1 CYCLIC PEPTIDE COMPOUND HAVING KRAS INHIBITORY ACTION KRAS, NRAS, HRAS ITGB3 4849/4885ITGA2B 4821/4885EPHX2 3594/4885
US-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 ITGB3 4366/4885ITGA2B 4097/4885EPHX2 4157/4885
US-20060167066-A1 Pyrrolidine inhibitors of IAP BIRC5, XIAP, BIRC2 ITGB3 4810/4885ITGA2B 4686/4885EPHX2 4202/4885
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 ITGB3 4814/4885ITGA2B 4700/4885EPHX2 4205/4885
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 ITGB3 4396/4885ITGA2B 3892/4885EPHX2 4373/4885

“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.