SCHEMBL46640

SCHEMBL46640

CSc1ccc(CC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.56
CAMK2A Q9UQM7 1/20 0.56
AKR1B1 P15121 1/20 0.54
LMNA P02545 2/20 0.52
GAA P10253 2/20 0.52
TSHR P16473 2/20 0.52
ABCC4 O15439 1/20 0.52
PTGS1 P23219 1/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52
MMP12 P39900 1/20 0.50
MMP13 P45452 1/20 0.50
KLKB1 P03952 1/20 0.48
CTSB P07858 1/20 0.48
CYP26A1 O43174 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 2/20 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
Adipic Acid SCHEMBL27542113 0.91 ALDH1A1 (0.49) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL11078723 0.89 SRD5A2 (0.57) CA2CAMK2AAKR1B1LMNAGAA
Tetrahydrofuran SCHEMBL28247165 0.86 CA2 (0.43) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL10695731 0.84 MMP12 (0.45) LMNATSHRALDH1A1HSD17B10MMP12
SCHEMBL3767923 0.83 CA2 (0.52) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL4869495 0.83 HAO1 (0.53) LMNATSHRALDH1A1HSD17B10MMP12
SCHEMBL11469781 0.83 AKR1C3 (0.60) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL2398565 0.83 POLB (0.48) LMNATSHRALDH1A1HSD17B10MMP12
SCHEMBL225546 0.82 CA2 (0.60) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL13464286 0.82 CA2 (0.60) CA2CAMK2AAKR1B1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4661890-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS Purdue Research Foundation (US) 2025-12-17 EP claimed
WO-2024167565-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS PURDUE RESEARCH FOUNDATION (US) 2024-08-15 WO claimed
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
CN-116836081-A Ether epoxy toughening agent and preparation method and application thereof 中国林业科学研究院林产化学工业研究所 2023-10-03 CN claimed
CN-105646306-B Preparation method of 4-methylthio phenylacetic acid 广东莱佛士制药技术有限公司 2020-06-30 CN claimed
CN-108689917-A A kind of Etoricoxib intermediate continuous flow production technology 深圳市华先医药科技有限公司 2018-10-23 CN claimed
US-10072043-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-09-11 US claimed
US-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES Indiana University Research and Technology Corpora tion (US) 2016-06-23 US claimed
CN-105646306-A Preparation method of 4-methylthio phenylacetic acid 惠州市莱佛士制药技术有限公司 2016-06-08 CN claimed
US-9217012-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-12-22 US claimed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
US-4839352-A ANTIBIOTICS MERCK & CO., INC. (US) 1989-06-13 US claimed
US-4310459-A Process for producing carbamoyl substituted penams and carbamoyl substituted cephams from penicillin sulfoxide esters BRISTOL-MYERS COMPANY (US) 1982-01-12 US claimed

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-10072043-B2 Inhibitors of protein tyrosine phosphatases PTPRCAP, PTPRF, PTPRS CA2 3509/4885CAMK2A 577/4885AKR1B1 4010/4885
US-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS CA2 3509/4885CAMK2A 577/4885AKR1B1 4010/4885
US-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 CA2 32/4885CAMK2A 1756/4885AKR1B1 1963/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 CA2 664/4885CAMK2A 2997/4885AKR1B1 2784/4885

“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.