SCHEMBL4072231

SCHEMBL4072231

C[C@@H]1C[C@@H](C(=O)O)N(C)C1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.44
▸ PLA2G1B P04054 1/20 0.33
▸ ATG4B Q9Y4P1 1/20 0.33
▸ ACE P12821 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL24354973 1.00 ATM (0.44) ATMPLA2G1BATG4BACEGAA
SCHEMBL29108935 1.00 ATM (0.44) ATMPLA2G1BATG4BACEGAA
SCHEMBL1101660 1.00 ATM (0.44) ATMPLA2G1BATG4BACEGAA
SCHEMBL10330907 1.00 ATM (0.44) ATMPLA2G1BATG4BACEGAA
SCHEMBL13164365 1.00 ATM (0.44) ATMPLA2G1BATG4BACEGAA
SCHEMBL8989612 0.82 ATM (0.59) ATMACEGAATDP1ALDH1A1
SCHEMBL16174139 0.82 ATM (0.35) ATMGAA
SCHEMBL1303907 0.82 ATM (0.59) ATMACEGAATDP1ALDH1A1
SCHEMBL589712 0.82 ATM (0.59) ATMACEGAATDP1ALDH1A1
SCHEMBL7882438 0.82 ATM (0.59) ATMACEGAATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240109917-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2024-04-04 — — US disclosed
CN-116802184-A Pyrazolothiazole carboxamides and their use as PDGFR inhibitors 埃科特莱茵药品有限公司 2023-09-22 — — CN disclosed
EP-2805726-B1 Macrocyclic hepatitis C serine protease inhibitors ENANTA PHARM INC (US) 2018-05-02 — — EP disclosed
WO-2018045313-A1 SUBSTITUTED UREA DEPSIPEPTIDE ANALOGS AS ACTIVATORS OF THE CLPP ENDOPEPTIDASE ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2018-03-08 — — WO disclosed
US-8822474-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 — — US disclosed
EP-2242750-B1 CONFORMATIONALLY RESTRICTED BIPHENYL DERIVATIVES FOR USE AS HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-04-24 — — EP disclosed
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 — — US disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 — — US disclosed
US-20090068140-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-12 — — US disclosed
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-24 — — 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 (4 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-20090068140-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, PYGL, HCCS ATM 3538/4885PLA2G1B 1357/4885ATG4B 627/4885
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system PDE4A, PDE4B, PDE12 ATM 1781/4885PLA2G1B 435/4885ATG4B 2075/4885
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT ATM 2782/4885PLA2G1B 2104/4885ATG4B 4407/4885
US-20240109917-A1 PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS PDGFRA, PDGFRB, ABL1 ATM 838/4885PLA2G1B 1826/4885ATG4B 2233/4885

“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.

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