SCHEMBL2822944

SCHEMBL2822944

CCOC(=O)C(CC)(C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.50
ALDH1A1 P00352 2/20 0.44
RECQL P46063 1/20 0.44
MMP8 P22894 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 3/20 0.43
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KCNN4 O15554 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 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
SCHEMBL5474434 0.93 PIN1 (0.53) PIN1ALDH1A1RECQLMMP8MEN1
SCHEMBL6903590 0.87 PIN1 (0.47) PIN1ALDH1A1RECQLMMP8MEN1
SCHEMBL15945879 0.87 PIN1 (0.47) PIN1ALDH1A1RECQLMMP8MEN1
SCHEMBL27546110 0.85 PIN1 (0.46) PIN1ALDH1A1RECQLMMP8MEN1
SCHEMBL2761314 0.84 PIN1 (0.51) PIN1ALDH1A1RECQLMMP8MEN1
Adipic Acid SCHEMBL27846408 0.84 PIN1 (0.45) PIN1ALDH1A1RECQLMMP8MEN1
SCHEMBL15944491 0.84 MMP8 (0.47) PIN1ALDH1A1RECQLMMP8MEN1
SCHEMBL27559055 0.84 ALDH1A1 (0.41) PIN1ALDH1A1MMP8MEN1KMT2A
SCHEMBL2291949 0.83 CYP2C19 (0.47) ALDH1A1MEN1KMT2ACHRM2CHRM1
SCHEMBL7490885 0.83 ALDH1A1 (0.51) PIN1ALDH1A1RECQLMMP8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12565493-B2 Method for preparing 2-[2-(2-chlorothiazol-5-yl)-2-oxo-ethyl]sulfanyl-6-hydroxy-3-methyl-5-phenyl-pyrimidin-4-one BASF SE (DE) 2026-03-03 US disclosed
US-20240101547-A1 METHOD FOR PREPARING 2-[2-(2-CHLOROTHIAZOL-5-YL)-2-OXO-ETHYL]SULFANYL-6-HYDROXY-3-METHYL-5-PHENYL-PYRIMIDIN-4-ONE BASF SE (DE) 2024-03-28 US disclosed
EP-4281441-A1 METHOD FOR PREPARING 2-[2-(2-CHLOROTHIAZOL-5-YL)-2-OXO-ETHYL]SULFANYL-6-HYDROXY-3-METHYL-5-PHENYL-PYRIMIDIN-4-ONE BASF SE (DE) 2023-11-29 EP disclosed
EP-2396330-B1 FUSED PYRIMIDINES BAYER IP GMBH (DE) 2016-04-06 EP disclosed
US-8614218-B2 Fused bicyclic pyrimidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-24 US disclosed
US-7776864-B2 Fused bicyclic pyrimidines BAYER SCHERING PHARMA AG (DE) 2010-08-17 US disclosed
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2010-07-22 US disclosed
US-RE41289-E1 Ultrashort acting hypnotic barbiturates ARYX THERAPEUTICS, INC. (US) 2010-04-27 US disclosed
US-20090137607-A1 FUSED BICYCLIC PYRIMIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2009-05-28 US disclosed
US-20060211759-A1 Bis-heterocyclic compounds with antitumour and chemosensitising activity SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2006-09-21 US disclosed
EP-0912617-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS Montell Technology Company bv (NL) 1999-05-06 EP disclosed
WO-1998056833-A1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF OLEFINS MONTELL TECHNOLOGY COMPANY B.V. (NL) 1998-12-17 WO disclosed
US-5266702-A 1,3-oxazoline compounds useful as anionic initiators suitable for polymerization of vinyl polymers COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 1993-11-30 US disclosed
EP-0267576-B1 COMPONENTS AND CATALYSTS FOR THE POLYMERIZATION OF ALPHA-OLEFINS TO STEREOREGULAR POLYMERS HAVING NARROW MOLECULAR WEIGHT DISTRIBUTION Himont Incorporated (US) 1992-05-27 EP disclosed
US-4531008-A Insecticide, miticide SUMITOMO CHEMICAL CO., LTD. (JP) 1985-07-23 US disclosed
US-4266074-A SUBSTITUTED PHENYL BUTENYL ACETATES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1981-05-05 US disclosed
US-4062968-A MITICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-12-13 US disclosed
US-4039680-A SULFUR CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-08-02 US disclosed
US-4031235-A Insecticidal substituted acetate compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-06-21 US disclosed
US-3996244-A Insecticidal esters of substituted furan methanol SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-12-07 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-20060211759-A1 Bis-heterocyclic compounds with antitumour and chemosensitising activity ABCC1, MCL1, DPYD PIN1 611/4885ALDH1A1 310/4885RECQL 1056/4885
US-12565493-B2 Method for preparing 2-[2-(2-chlorothiazol-5-yl)-2-oxo-ethyl]sulfanyl-6-hydroxy-3-methyl-5-phenyl-pyrimidin-4-one TPMT, UMPS, TST PIN1 2324/4885ALDH1A1 213/4885RECQL 4050/4885
US-20090137607-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR PIN1 843/4885ALDH1A1 3182/4885RECQL 867/4885
US-20240101547-A1 METHOD FOR PREPARING 2-[2-(2-CHLOROTHIAZOL-5-YL)-2-OXO-ETHYL]SULFANYL-6-HYDROXY-3-METHYL-5-PHENYL-PYRIMIDIN-4-ONE TPMT, TH, UMPS PIN1 614/4885ALDH1A1 405/4885RECQL 4724/4885
US-20100184782-A1 FUSED BICYCLIC PYRIMIDINES PIK3CA, TYMS, MTOR PIN1 843/4885ALDH1A1 3182/4885RECQL 867/4885

“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.