SCHEMBL863425

SCHEMBL863425

CC(C)(C)C1CCCC(C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.49
ANPEP P15144 1/20 0.41
SLC6A1 P30531 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SLC6A11 P48066 1/20 0.36
SLC6A13 Q9NSD5 1/20 0.36
EPHX2 P34913 1/20 0.36
EPHX1 P07099 1/20 0.35
GABRR1 P24046 1/20 0.34
GRM2 Q14416 1/20 0.34
GLA P06280 1/20 0.34
HSD11B1 P28845 1/20 0.33
HSD11B2 P80365 1/20 0.33
ACE P12821 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL20047617 1.00 BTK (0.49) BTKANPEPSLC6A1TSHRLMNA
SCHEMBL14436576 1.00 BTK (0.49) BTKANPEPSLC6A1TSHRLMNA
SCHEMBL1073419 0.87 GLA (0.43) BTKTSHRLMNAEPHX1GABRR1
SCHEMBL18628568 0.86 BTK (0.47) BTKANPEPSLC6A1TSHRLMNA
SCHEMBL20404192 0.82 BTK (0.45) BTKANPEPSLC6A1TSHRLMNA
SCHEMBL23812206 0.82 EPHX1 (0.34) BTKSMN1; SMN2EPHX1GLAHSD11B1
SCHEMBL25449383 0.82 MAPT (0.38) BTKLMNASMN1; SMN2EPHX1HSD11B1
SCHEMBL21433682 0.81 SMN1; SMN2 (0.44) BTKSMN1; SMN2EPHX1GLAHSD17B10
SCHEMBL12424332 0.80 APLNR (0.39) BTKTSHRLMNAEPHX1GABRR1
SCHEMBL12384655 0.80 APLNR (0.39) BTKTSHRLMNAEPHX1GABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2023-05-11 US disclosed
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS Alesta Therapeutics BV (NL) 2023-05-11 US disclosed
US-11155546-B2 4,6,7-trisubstituted 1,2-dihydropyrrolo[3,4-c]pyridin/pyrimidin-3-one derivatives and uses thereof SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-10-26 US disclosed
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2021-06-15 US disclosed
US-10793566-B2 Bruton's tyrosine kinase inhibitors ZIBO BIOPOLAR CHANGSHENG PHARMACEUTICAL CO. LTD. (CN) 2020-10-06 US disclosed
US-20200223846-A1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROLO[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVES AND USES THEREOF SHANGHAI HAIYAN PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2020-07-16 US disclosed
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2020-06-23 US disclosed
US-10662187-B2 Bruton's tyrosine kinase inhibitors ZIBO BIOPOLAR CHANGSHENG PHARMACEUTICAL CO. LTD. (CN) 2020-05-26 US disclosed
US-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof ENANTA PHARMACEUTICALS, INC. (US) 2019-10-22 US disclosed
US-20190276453-A1 BRUTON'S TYROSINE KINASE INHIBITORS SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2019-09-12 US disclosed
US-20170326128-A1 Novel Methyl-Piperidine Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 ELI LILLY AND COMPANY 2017-11-16 US disclosed
US-20170326128-A1 Novel Methyl-Piperidine Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 ELI LILLY AND COMPANY 2017-11-16 US disclosed
US-9809521-B2 Cannabidinoid derivatives SUTTER WEST BAY HOSPITALS (US) 2017-11-07 US disclosed
US-20160376211-A1 CANNABIDINOID DERIVATIVES SUTTER WEST BAY HOSPITALS 2016-12-29 US disclosed
US-9254272-B2 Resorcinol derivatives SUTTER WEST BAY HOSPITALS (US) 2016-02-09 US disclosed
CN-102834380-B Inhibitors of protein kinases ASTRAZENECA 2015-04-01 CN disclosed
US-20130209483-A1 CANNABIDINOID DERIVATIVES SUTTER WEST BAY HOSPITALS (US) 2013-08-15 US disclosed
US-20120073661-A1 PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR CELL KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-03-29 US disclosed
US-20120073661-A1 PHOTOELECTRIC CONVERSION ELEMENT AND SOLAR CELL KONICA MINOLTA BUSINESS TECHNOLOGIES, INC. (JP) 2012-03-29 US disclosed
US-4442090-A ACYLATED AMINO ACID KYOTO YAKUHIN KOGYO KABUSHIKI KAISHA (JP) 1984-04-10 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 (12 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-10450306-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 BTK 2365/4885ANPEP 3133/4885SLC6A1 387/4885
US-10662187-B2 Bruton's tyrosine kinase inhibitors BTK, ABL1, SYK BTK 1/4885ANPEP 3149/4885SLC6A1 4562/4885
US-20170326128-A1 Novel Methyl-Piperidine Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 PTGS1, PTGES, PTGER1 BTK 4713/4885ANPEP 2927/4885SLC6A1 3029/4885
US-20230143059-A1 GCN2 MODULATOR COMPOUNDS EIF2AK4, GPR119, GCN1 BTK 3189/4885ANPEP 4656/4885SLC6A1 592/4885
US-20200223846-A1 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROLO[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVES AND USES THEREOF CYP2D6, DPYD, TPMT BTK 1081/4885ANPEP 1811/4885SLC6A1 365/4885
US-10793566-B2 Bruton's tyrosine kinase inhibitors BTK, ABL1, SYK BTK 1/4885ANPEP 3149/4885SLC6A1 4562/4885
US-11155546-B2 4,6,7-trisubstituted 1,2-dihydropyrrolo[3,4-c]pyridin/pyrimidin-3-one derivatives and uses thereof CYP2D6, DPYD, TPMT BTK 1081/4885ANPEP 1811/4885SLC6A1 365/4885
US-20130209483-A1 CANNABIDINOID DERIVATIVES CNR2, CNR1, GPR18 BTK 714/4885ANPEP 4553/4885SLC6A1 961/4885
US-11034684-B2 Isoxazole analogs as FXR agonists and methods of use thereof GPBAR1, SLC10A1, NR1H4 BTK 2365/4885ANPEP 3133/4885SLC6A1 387/4885
US-20160376211-A1 CANNABIDINOID DERIVATIVES CNR2, CNR1, GPR18 BTK 714/4885ANPEP 4553/4885SLC6A1 961/4885
US-10689391-B2 Isoxazole analogs as FXR agonists and methods of use thereof SLC10A1, NR1H4, GPBAR1 BTK 1718/4885ANPEP 3385/4885SLC6A1 345/4885
US-20190276453-A1 BRUTON'S TYROSINE KINASE INHIBITORS BTK, ABL1, SYK BTK 1/4885ANPEP 3149/4885SLC6A1 4562/4885

“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.