Sugi Predict

Sugi Predict / Compounds / SCHEMBL1018779

SCHEMBL1018779

SCHEMBL1018779

COC(=O)c1ccc2c(c1)OCC2(C)C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.58
▸ RARG P13631 3/20 0.58
▸ SMN1; SMN2 Q16637 5/20 0.44
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ RARA P10276 2/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ CA12 O43570 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ XDH P47989 1/20 0.44
▸ CA14 Q9ULX7 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ ALOX5 P09917 1/20 0.43
▸ PTGS1 P23219 1/20 0.42
▸ PTGS2 P35354 1/20 0.42

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
SCHEMBL16744298 0.88 RARB (0.73) RARBRARGSMN1; SMN2NPC1RAB9A
SCHEMBL13668351 0.86 RARB (0.47) RARBRARGSMN1; SMN2NPC1RAB9A
SCHEMBL1021435 0.83 RARB (0.56) RARBRARGRARACYP3A4ALDH1A1
SCHEMBL17664673 0.82 CNR2 (0.44) RARBRARGRARACYP3A4ALDH1A1
SCHEMBL1018488 0.81 RARB (0.45) RARBRARGRARAALOX5PTGS1
SCHEMBL28157952 0.81 TSHR (0.51) RARBRARGSMN1; SMN2NPC1RAB9A
SCHEMBL17660256 0.81 PDK2 (0.44) RARBRARGSMN1; SMN2RARAPTGS1
SCHEMBL6729936 0.80 CYP3A4 (0.49) RARBRARGRARACYP3A4ALDH1A1
SCHEMBL6733785 0.79 RXRA (0.46) RARBRARGRARACYP3A4MEN1
SCHEMBL3021003 0.78 CNR2 (0.66) RARBRARGNPC1RAB9ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 — — US disclosed
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-08-01 — — US disclosed
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 — — US disclosed
US-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-04-09 — — US disclosed
EP-3204382-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF Merck Patent GmbH (DE) 2017-08-16 — — EP disclosed
CN-107001362-A Heteroaryl compound as BTK inhibitor and application thereof 默克专利有限公司 2017-08-01 — — CN disclosed
US-9540360-B2 Sulfonamide compounds having TRPM8 antagonistic activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-01-10 — — US disclosed
EP-2686302-B1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY MITSUBISHI TANABE PHARMA CORP (JP) 2016-08-10 — — EP disclosed
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 — — WO disclosed
WO-2016057500-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-04-14 — — WO disclosed
WO-2012124825-A1 SULFONAMIDE COMPOUNDS HAVING TRPM8 ANTAGONISTIC ACTIVITY MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-09-20 — — WO disclosed
US-20110124640-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-26 — — US disclosed
US-20110124640-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-26 — — US disclosed
US-20110124640-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-05-26 — — US disclosed
EP-2323665-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS Bristol-Myers Squibb Company (US) 2011-05-25 — — EP disclosed
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-31 — — US disclosed
EP-2271646-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2011-01-12 — — EP disclosed
WO-2010011837-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-28 — — WO disclosed
WO-2010011837-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-28 — — WO disclosed
WO-2009123986-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 — — 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-10253023-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LYN RARB 4844/4885RARG 4859/4885SMN1; SMN2 4740/4885
US-20190233417-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LYN RARB 4831/4885RARG 4841/4885SMN1; SMN2 4742/4885
US-20110077235-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 INHIBITORS BAX, BCL2, BAD RARB 3570/4885RARG 4013/4885SMN1; SMN2 2407/4885
US-20110124640-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BTK, LYN, ABL1 RARB 3419/4885RARG 3866/4885SMN1; SMN2 4601/4885

“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.