SCHEMBL3449019

SCHEMBL3449019

C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.55
PTPN1 P18031 4/20 0.53
CDC25B P30305 4/20 0.53
PTPN2 P17706 2/20 0.53
CDC25A P30304 2/20 0.53
PPARG P37231 2/20 0.50
MMP9 P14780 2/20 0.50
MMP8 P22894 2/20 0.50
APP P05067 2/20 0.49
CTSS P25774 3/20 0.49
SYK P43405 1/20 0.49
ATM Q13315 1/20 0.49
ACE P12821 1/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL12018371 1.00 PPARA (0.55) PPARAPTPN1CDC25BPTPN2CDC25A
SCHEMBL400187 1.00 PPARA (0.55) PPARAPTPN1CDC25BPTPN2CDC25A
SCHEMBL1414710 1.00 PPARA (0.55) PPARAPTPN1CDC25BPTPN2CDC25A
SCHEMBL2212074 1.00 PPARA (0.55) PPARAPTPN1CDC25BPTPN2CDC25A
SCHEMBL1414711 1.00 PPARA (0.55) PPARAPTPN1CDC25BPTPN2CDC25A
SCHEMBL400186 1.00 PPARA (0.55) PPARAPTPN1CDC25BPTPN2CDC25A
SCHEMBL12055688 1.00 PPARA (0.55) PPARAPTPN1CDC25BPTPN2CDC25A
Hydrochloric Acid SCHEMBL28347451 0.99 PPARA (0.54) PPARAPTPN1CDC25BPTPN2CDC25A
SCHEMBL24814238 0.90 KLK5 (0.54) PPARAPTPN1CDC25BPTPN2CDC25A
SCHEMBL9545038 0.90 KLK5 (0.54) PPARAPTPN1CDC25BPTPN2CDC25A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4358954-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2024-05-01 EP disclosed
CN-117561058-A CDK2 inhibitors and methods of use thereof 塞迪拉治疗股份有限公司 2024-02-13 CN disclosed
US-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. 2023-04-20 US disclosed
WO-2022272106-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed
WO-2022272106-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2022-12-29 WO disclosed
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 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 (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-20230121337-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK2AP2 PPARA 3115/4885PTPN1 2211/4885CDC25B 50/4885
US-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 PPARA 4634/4885PTPN1 1509/4885CDC25B 1133/4885

“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.