SCHEMBL4012499

SCHEMBL4012499

CC(C)(C)OC(=O)N1Cc2cc(O)ccc2CC1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.54
ESR2 Q92731 1/20 0.53
OPRM1 P35372 1/20 0.53
OPRD1 P41143 1/20 0.53
OPRK1 P41145 1/20 0.53
HDAC8 Q9BY41 12/20 0.49

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
SCHEMBL29773931 1.00 PTPN1 (0.54) PTPN1ESR2OPRM1OPRD1OPRK1
SCHEMBL6508024 1.00 PTPN1 (0.54) PTPN1ESR2OPRM1OPRD1OPRK1
SCHEMBL864823 1.00 PTPN1 (0.54) PTPN1ESR2OPRM1OPRD1OPRK1
SCHEMBL29502321 1.00 PTPN1 (0.54) PTPN1ESR2OPRM1OPRD1OPRK1
SCHEMBL30254985 1.00 PTPN1 (0.54) PTPN1ESR2OPRM1OPRD1OPRK1
SCHEMBL546157 0.95 ESR2 (0.56) PTPN1ESR2OPRM1OPRD1OPRK1
SCHEMBL2722678 0.89 PTPN1 (0.53) PTPN1HDAC8
SCHEMBL30592013 0.88 PTPN1 (0.69) PTPN1ESR2HDAC8
SCHEMBL29369360 0.88 PTPN1 (0.69) PTPN1ESR2HDAC8
SCHEMBL17486413 0.88 PTPN1 (0.69) PTPN1ESR2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-12-14 US disclosed
US-11807636-B2 IRAK degraders and uses thereof KYMERA THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
EP-3704113-B1 BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-10-11 EP disclosed
EP-3601258-B1 SUBSTITUTED ISOQUIONLINE DERIVATIVES AS IMMUNOMUDULATORS BRISTOL MYERS SQUIBB CO (US) 2023-08-30 EP disclosed
EP-3601258-B1 SUBSTITUTED ISOQUIONLINE DERIVATIVES AS IMMUNOMUDULATORS BRISTOL MYERS SQUIBB CO (US) 2023-08-30 EP disclosed
CN-110461829-B Substituted isoquinoline derivatives as immunomodulators 百时美施贵宝公司 2023-02-28 CN disclosed
US-20220324854-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-10-13 US disclosed
US-11046675-B2 Substituted isoquionline derivatives as immunomudulators BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-29 US disclosed
CN-111840290-B Application of isoquinoline compounds in killing or preventing ectoparasites of aquatic animals 浙江省淡水水产研究所 2021-05-07 CN disclosed
EP-0923734-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 1999-06-23 EP disclosed
WO-1999028314-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed
US-5840500-A OPIOD RECEPTORS AS ANALGESICS AND CENTRALLY ACTING PAIN KILLERS TREGA BIOSCIENCES, INC. (US) 1998-11-24 US disclosed
EP-0865439-A4 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS INC (US) 1998-11-11 EP disclosed
EP-0865439-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1998-09-23 EP disclosed
WO-1998002741-A9 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES 1998-05-22 WO disclosed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 WO disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 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 (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-11046675-B2 Substituted isoquionline derivatives as immunomudulators CD74, HLA-DRB1, ICOS PTPN1 205/4885ESR2 2751/4885OPRM1 1347/4885
US-20220324854-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 PTPN1 358/4885ESR2 2271/4885OPRM1 4472/4885
US-11807636-B2 IRAK degraders and uses thereof IRAK2, IRAK3, IRAK1 PTPN1 358/4885ESR2 2271/4885OPRM1 4472/4885
US-20230398223-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 PTPN1 358/4885ESR2 2271/4885OPRM1 4472/4885

“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.