SCHEMBL12908

SCHEMBL12908

C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.56
HPGD P15428 1/20 0.54
LMNA P02545 1/20 0.51
USP2 O75604 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
RECQL P46063 2/20 0.48
EPHX1 P07099 1/20 0.48
POLB P06746 2/20 0.47
PREP P48147 2/20 0.46
USP30 Q70CQ3 1/20 0.44
NR1H2 P55055 1/20 0.44
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL771303 1.00 ALDH1A1 (0.56) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL12902 1.00 ALDH1A1 (0.56) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL8288407 0.95 HPGD (0.56) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL23394146 0.95 HPGD (0.56) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL264879 0.89 RECQL (0.54) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL8056889 0.89 RECQL (0.54) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL15107859 0.89 HPGD (0.61) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL8276848 0.89 RECQL (0.54) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL28045822 0.86 MEN1 (0.45) ALDH1A1MEN1MAPTKMT2AHPGD
SCHEMBL8269500 0.86 HPGD (0.62) ALDH1A1MEN1MAPTKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023212535-A1 FGFR2 INHIBITOR COMPOUNDS ELI LILLY AND COMPANY (US) 2023-11-02 WO disclosed
CN-116162089-B Preparation and use methods of pyrimidinyl antiviral compounds 南京知和医药科技有限公司 2023-10-31 CN disclosed
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS Asteroid Therapeutics 2023-10-26 US disclosed
CN-116003469-B Preparation and use methods of pyrimidinyl antiviral compounds 南京知和医药科技有限公司 2023-10-17 CN disclosed
US-11766436-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2023-09-26 US disclosed
US-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof UNIV ZHEJIANG (CN) 2023-09-21 US disclosed
CN-112778299-B Piperazine ureido derivatives, preparation method thereof and application thereof in medicines 江苏恒瑞医药股份有限公司 2023-07-14 CN disclosed
CN-116162089-A Preparation and use methods of pyrimidinyl antiviral compounds 南京知和医药科技有限公司 2023-05-26 CN disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
CN-116003469-A Preparation and use methods of pyrimidinyl antiviral compounds 南京知和医药科技有限公司 2023-04-25 CN disclosed
US-20110059955-A1 NOVEL 3-AMINOALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-10 US disclosed
US-20110059955-A1 NOVEL 3-AMINOALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2011-03-10 US disclosed
WO-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed
US-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 US disclosed
WO-2009115685-A1 NOVEL 3-AMINOALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF. SANOFI-AVENTIS (FR) 2009-09-24 WO disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
US-7557113-B2 Substituted pyrrolo[3,2-d]pyrimidine derivatives TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed
WO-2009052138-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 WO disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 US disclosed
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-24 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 (7 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-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 ALDH1A1 1195/4885MEN1 3307/4885MAPT 507/4885
US-20230295144-A1 2-polysubstituted aromatic ring-pyrimidine derivatives, preparation and medical application thereof CHEK1, PLK1, CHEK2 ALDH1A1 3029/4885MEN1 2789/4885MAPT 3421/4885
US-20100222585-A1 PREPARATION OF DIHYDROTHIENO [3, 2-D] PYRIMIDINES AND INTERMEDIATES USED THEREIN DPYD, TYMS, DHFR ALDH1A1 382/4885MEN1 3117/4885MAPT 3575/4885
US-20230340011-A1 STEROIDAL COMPOSITIONS AND METHODS OF TREATING LIPOGENIC CANCERS SREBF1, SREBF2, NR1H3 ALDH1A1 3647/4885MEN1 1510/4885MAPT 4392/4885
US-20080176833-A1 DIHYDROPYRIDINE DERIVATIVES AS USEFUL AS PROTEIN KINASE INHIBITORS MET, DMPK, RET ALDH1A1 1341/4885MEN1 402/4885MAPT 1550/4885
US-20110059955-A1 NOVEL 3-AMINOALKYL-1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF AVPR1B, AVPR1A, AVPR2 ALDH1A1 1541/4885MEN1 910/4885MAPT 3652/4885
US-11766436-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS ALDH1A1 4162/4885MEN1 296/4885MAPT 4273/4885

“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.