Sugi Predict

Sugi Predict / Compounds / SCHEMBL2623892

SCHEMBL2623892

SCHEMBL2623892

Cc1cc(F)cc(CC(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 2/20 0.40
▸ PGR P06401 2/20 0.40
▸ NR3C2 P08235 2/20 0.40
▸ NOS3 P29474 2/20 0.37
▸ NOS1 P29475 2/20 0.37
▸ NOS2 P35228 2/20 0.37
▸ GABRA1 P14867 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ ACHE P22303 1/20 0.33
▸ MAOA P21397 2/20 0.33
▸ MAOB P27338 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ RAPGEF4 Q8WZA2 2/20 0.31
▸ IDO1 P14902 2/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ TRPA1 O75762 1/20 0.31

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
SCHEMBL2623872 0.86 IDO1 (0.41) NR3C1PGRNR3C2GABRA1GABRB2
SCHEMBL16962399 0.84 NOS2 (0.43) NR3C1PGRNR3C2NOS3NOS1
SCHEMBL5739348 0.84 NOS3 (0.43) NR3C1PGRNR3C2NOS3NOS1
SCHEMBL23343769 0.83 NOS2 (0.42) NR3C1PGRNR3C2NOS3NOS1
SCHEMBL22296093 0.79 NOS1 (0.41) NR3C1PGRNR3C2NOS3NOS1
SCHEMBL28726849 0.77 IDO1 (0.34) NOS3NOS1NOS2GABRA1GABRB2
SCHEMBL12450288 0.77 PNMT (0.37) GABRA1GABRB2MAOAMAOBRAPGEF4
SCHEMBL16961202 0.77 TRPA1 (0.33) GABRA1GABRB2MAOAMAOBIDO1
SCHEMBL14570491 0.77 ACHE (0.39) NR3C1PGRNR3C2NOS3NOS1
SCHEMBL14668127 0.76 NOS1 (0.38) NR3C1PGRNR3C2NOS3NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF THE BROAD INSTITUTE, INC. (US) 2023-04-20 — — US disclosed
US-9808447-B2 Inhibitors of Rho associated protein kinases (ROCK) and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-11-07 — — US disclosed
US-9580391-B2 Saturated acyl guanidine for inhibition of F1F0-ATPase LYCERA CORPORATION (US) 2017-02-28 — — US disclosed
US-20170049760-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2017-02-23 — — US disclosed
US-9518000-B2 Bicyclo [2.2.1] acid GPR120 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2016-12-13 — — US disclosed
US-9409868-B2 Inhibitors of rho associated protein kinases (ROCK) and methods of use H. Lee Moffin Cancer Center and Research Institute, Inc. (US) 2016-08-09 — — US disclosed
US-20160016880-A1 BICYCLO [2.2.1] ACID GPR120 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 — — US disclosed
US-9221808-B2 Pyridylthiazole-based ureas as inhibitors of Rho associated protein kinase (ROCK) and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-12-29 — — US disclosed
US-20140336440-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2014-11-13 — — US disclosed
US-8759337-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-06-24 — — US disclosed
US-20110294784-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-01 — — US disclosed
US-20110257163-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-10-20 — — US disclosed
US-20110082153-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-04-07 — — US disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 — — US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 — — US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 — — US disclosed
US-20100297128-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2010-11-25 — — US disclosed
US-20100298372-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 — — US disclosed
US-20100298381-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 — — US disclosed
US-20100137320-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-06-03 — — 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 (14 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 NR3C1 3268/4885PGR 1389/4885NR3C2 2372/4885
US-20140336440-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE ROCK1, ROCK2, CIT NR3C1 4467/4885PGR 4477/4885NR3C2 4360/4885
US-20100137320-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP NR3C1 3270/4885PGR 4275/4885NR3C2 3334/4885
US-20110294784-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP NR3C1 3413/4885PGR 4004/4885NR3C2 3352/4885
US-20100297128-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 NR3C1 3266/4885PGR 3951/4885NR3C2 3190/4885
US-20110082153-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 NR3C1 3384/4885PGR 4169/4885NR3C2 3557/4885
US-20110257163-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 NR3C1 3483/4885PGR 3994/4885NR3C2 3707/4885
US-20100298372-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 NR3C1 3384/4885PGR 4169/4885NR3C2 3557/4885
US-20160016880-A1 BICYCLO [2.2.1] ACID GPR120 MODULATORS GPR180, GPR88, GPBAR1 NR3C1 196/4885PGR 1205/4885NR3C2 114/4885
US-20230117680-A1 CYCLOPHILIN D INHIBITORS AND USES THEREOF PPID, PPIF, PPIL1 NR3C1 1531/4885PGR 3720/4885NR3C2 2360/4885
US-20170049760-A1 INHIBITORS OF RHO ASSOCIATED PROTEIN KINASES (ROCK) AND METHODS OF USE ROCK1, ROCK2, CIT NR3C1 4467/4885PGR 4477/4885NR3C2 4360/4885
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 NR3C1 3238/4885PGR 4134/4885NR3C2 3510/4885
US-20100298381-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSENEN NR3C1 2171/4885PGR 3557/4885NR3C2 3810/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 NR3C1 3352/4885PGR 4036/4885NR3C2 3343/4885

“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.