SCHEMBL2016945

SCHEMBL2016945

COCC(C(=O)O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.52
GLS O94925 2/20 0.48
HPGD P15428 2/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
CYP2D6 P10635 2/20 0.45
SRC P12931 1/20 0.45
CHRM1 P11229 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.43
EPHX1 P07099 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
SCHEMBL27694614 0.89 PTGS2 (0.53) CYP2C19GLSPOLBCYP1A2PKM
SCHEMBL27814116 0.87 CYP2C19 (0.41) CYP2C19GLSHPGDTSHRKMT2A
SCHEMBL2016201 0.85 HPGD (0.49) CYP2C19HPGDTSHRKMT2ASMN1; SMN2
SCHEMBL819824 0.85 GLS (0.46) CYP2C19GLSHPGDTSHRKMT2A
SCHEMBL29211037 0.85 ESR1 (0.51) CYP2C19CYP2D6SRCCHRM1POLB
SCHEMBL819828 0.85 KMT2A (0.58) GLSHPGDTSHRKMT2ASMN1; SMN2
SCHEMBL6802549 0.85 EPHX1 (0.58) CYP2C19GLSHPGDTSHRKMT2A
SCHEMBL25201694 0.83 L3MBTL1 (0.42) CYP2C19HPGDKMT2ACYP2D6POLB
SCHEMBL14232829 0.83 GLS (0.45) CYP2C19GLSHPGDTSHRKMT2A
SCHEMBL30387958 0.83 L3MBTL1 (0.42) CYP2C19HPGDKMT2ACYP2D6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753405-B2 1,3,4-thiadiazole compounds and their use in treating cancer CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-09-12 US disclosed
EP-3383873-B1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECH LTD (GB) 2022-03-09 EP disclosed
CN-108349966-B 1,3, 4-thiadiazole compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2022-02-15 CN disclosed
CN-109678685-B Preparation method of 1-indanone and derivatives thereof 中南民族大学 2021-11-05 CN disclosed
EP-3214086-B1 SUBSTITUTED DIHYDROPYRROLOPYRAZOLE COMPOUND UBE INDUSTRIES (JP) 2021-09-22 EP disclosed
US-20210246131-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-08-12 US disclosed
US-10981904-B2 1,3,4-thiadiazole compounds and their use in treating cancer CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2021-04-20 US disclosed
US-10968238-B2 Substituted dihydropyrrolopyrazole compound UBE INDUSTRIES, LTD. (JP) 2021-04-06 US disclosed
US-10968238-B2 Substituted dihydropyrrolopyrazole compound UBE INDUSTRIES, LTD. (JP) 2021-04-06 US disclosed
CN-107074887-B Substituted dihydropyrrolopyrazoles 宇部兴产株式会社 2020-12-22 CN disclosed
US-20130045982-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2013-02-21 US disclosed
WO-2011079036-A1 BENZAMIDE DERIVATIVES THE TRANSLATIONAL GENOMICS RESEARCH INSTITUTE (US) 2011-06-30 WO disclosed
US-6080587-A RATIONALLY DESIGNED LIBRARIES OF STRUCTURALLY-DIVERSE LOW MOLECULAR WEIGHT COMPOUNDS ELI LILLY AND COMPANY (US) 2000-06-27 US disclosed
EP-0906265-A1 CHEMICAL PROCESS ZENECA LIMITED (GB) 1999-04-07 EP disclosed
WO-1997048671-A1 CHEMICAL PROCESS ZENECA LIMITED (GB) 1997-12-24 WO disclosed
US-5693720-A COMPOUND HAVING ORGANIC NON-PEPTIDE MOIETY LINKED TO SOLID SUPPORT THROUGH SULFIDE; PHOTOSENSITIVITY ELI LILLY AND COMPANY (US) 1997-12-02 US disclosed
EP-0712493-A4 A METHOD FOR PREPARING AND SELECTING PHARMACEUTICALLY USEFUL NON-PEPTIDE COMPOUNDS FROM A STRUCTURALLY DIVERSE UNIVERSAL LIBRARY SPHINX PHARMA CORP (US) 1997-01-15 EP disclosed
EP-0712493-A1 A METHOD FOR PREPARING AND SELECTING PHARMACEUTICALLY USEFUL NON-PEPTIDE COMPOUNDS FROM A STRUCTURALLY DIVERSE UNIVERSAL LIBRARY SPHINX PHARMACEUTICALS CORPORATION (US) 1996-05-22 EP disclosed
US-5502246-A Solid-phase synthesis utilizing photochemical carbon-sulfur bond cleavage of thioethers ELI LILLY AND COMPANY (US) 1996-03-26 US disclosed
WO-1995004277-A1 A METHOD FOR PREPARING AND SELECTING PHARMACEUTICALLY USEFUL NON-PEPTIDE COMPOUNDS FROM A STRUCTURALLY DIVERSE UNIVERSAL LIBRARY SPHINX PHARMACEUTICALS CORPORATION (US) 1995-02-09 WO 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-10981904-B2 1,3,4-thiadiazole compounds and their use in treating cancer GLS2, GLS, GLUL CYP2C19 487/4885GLS 2/4885HPGD 389/4885
US-20210246131-A1 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER GLS2, GLS, GLUL CYP2C19 487/4885GLS 2/4885HPGD 389/4885
US-11753405-B2 1,3,4-thiadiazole compounds and their use in treating cancer GLS2, GLS, GLUL CYP2C19 487/4885GLS 2/4885HPGD 389/4885
US-20130045982-A1 BENZAMIDE DERIVATIVES BAD, BAK1, BRDT CYP2C19 3590/4885GLS 134/4885HPGD 917/4885
US-10968238-B2 Substituted dihydropyrrolopyrazole compound QDPR, CYP2D6, KCNJ11 CYP2C19 158/4885GLS 207/4885HPGD 1706/4885

“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.