Sugi Predict

Sugi Predict / Compounds / SCHEMBL202154

SCHEMBL202154

SCHEMBL202154

O=C(Nc1cc[c]cc1)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.53
▸ CA1 P00915 1/20 0.53
▸ CA2 P00918 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ MAPT P10636 1/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PDK1 Q15118 4/20 0.46
▸ PDK2 Q15119 4/20 0.46
▸ PDK3 Q15120 4/20 0.46
▸ PDK4 Q16654 4/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ EPHX2 P34913 1/20 0.44

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
SCHEMBL54917 0.81 L3MBTL1 (0.75) CA12CA1CA2CA9MAPT
SCHEMBL5201283 0.79 L3MBTL1 (0.54) CA12CA1CA2CA9MAPT
SCHEMBL474941 0.78 HDAC1 (0.65) CA12CA1CA2CA9MAPT
SCHEMBL4573229 0.78 L3MBTL1 (0.52) CA12CA1CA2CA9MAPT
SCHEMBL2260731 0.77 L3MBTL1 (0.51) CA12CA1CA2CA9MAPT
SCHEMBL3549311 0.77 CA12 (0.59) CA12CA1CA2CA9MAPT
SCHEMBL5549558 0.77 CA12 (0.59) CA12CA1CA2CA9MAPT
SCHEMBL3765919 0.77 CA12 (0.59) CA12CA1CA2CA9MAPT
SCHEMBL22059620 0.76 PDK1 (0.72) CA12CA1CA2CA9MAPT
SCHEMBL23036842 0.76 L3MBTL1 (0.42) CA12CA1CA2CA9MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817292-B1 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA NV (BE) 2015-04-08 — — EP claimed
EP-2803658-A1 Phosphinate ruthenium complexes IDENIX Pharmaceuticals, Inc. (US) 2014-11-19 — — EP claimed
CN-101801949-B Sulfonamides as TRPM8 modulators JANSSEN PHARMACEUTICA NV 2014-09-24 — — CN claimed
US-8765966-B2 Phosphinate ruthenium complexes IDENIX PHARMACEUTICALS, INC. (US) 2014-07-01 — — US claimed
US-20130267698-A1 PHOSPHINATE RUTHENIUM COMPLEXES IDENIX PHARMACEUTICALS LLC 2013-10-10 — — US claimed
US-8481748-B2 Phosphinate ruthenium complexes IDENIX PHARMACEUTICALS, INC. (US) 2013-07-09 — — US claimed
US-20130150572-A1 PHOSPHINATE RUTHENIUM COMPLEXES IDENIX PHARMACEUTICALS, INC. (US) 2013-06-13 — — US claimed
US-8410313-B2 Phosphinate ruthenium complexes IDENIX PHARMACEUTICALS, INC. (US) 2013-04-02 — — US claimed
US-20130030209-A1 PHOSPHINATE RUTHENIUM COMPLEXES IDENIX PHARMACEUTICALS, INC. (US) 2013-01-31 — — US claimed
US-8309737-B2 Phosphinate ruthenium complexes IDENIX PHARMACEUTICALS, INC. (US) 2012-11-13 — — US claimed
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-11-06 — — US claimed
WO-2003060078-A2 HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS X-CEPTOR THERAPEUTICS, INC. (US) 2003-07-24 — — WO claimed
WO-2003040147-A1 AZABICYCLIC-SUBSTITUTED-HETEROARYL COMPOUNDS FOR THE TREATMENT OF DISEASE__________________________________________________________________________________________________________________________ PHARMACIA & UPJOHN COMPANY (US) 2003-05-15 — — WO claimed
EP-0566446-B1 Derivatives of indane-1,3-dione and indane-1,2,3-trione, processes for their preparation and their application in therapy INNOTHERA LAB SA (FR) 1996-02-07 — — EP claimed
EP-0566446-A1 Derivatives of indane-1,3-dione and indane-1,2,3-trione, processes for their preparation and their application in therapy INNOTHERA (FR) 1993-10-20 — — EP claimed
WO-1993020046-A1 INDAN-1,3-DIONE AND INDAN-1,2,3-TRIONE DERIVATIVES, PROCESSES FOR PREPARATION OF SAME AND THEIR USE AS THERAPEUTIC AGENTS INNOTHERA (FR) 1993-10-14 — — WO claimed
EP-0171037-B1 3-CARBONYL-1-AMINOALKYL-1H-INDOLES USEFUL AS ANALGESICS AND PREPARATION THEREOF STERLING WINTHROP INC. (US) 1992-06-17 — — EP claimed
US-RE32761-E ANALGESICS, ANTIRHEUMATIC AND ANTIINFLAMMATORY AGENT STERLING DRUG INC. (US) 1988-10-04 — — US claimed
US-4581354-A ANALGESICS;ANTI-RHEUMATIC AND ANTI-INFLAMMATORY AGENTS STERLING DRUG INC. (US) 1986-04-08 — — US claimed
EP-0171037-A2 3-Carbonyl-1-aminoalkyl-1H-indoles useful as analgesics and preparation thereof STERLING WINTHROP INC. (US) 1986-02-12 — — EP claimed

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-20130150572-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, POP1 CA12 2557/4885CA1 2105/4885CA2 2695/4885
US-20130267698-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, POP1 CA12 2557/4885CA1 2105/4885CA2 2695/4885
US-20030207913-A1 Azabicyclic-substituted-heteroaryl compounds for the treatment of disease MALT1, WFS1, NR5A1 CA12 2922/4885CA1 2971/4885CA2 3277/4885
US-20130030209-A1 PHOSPHINATE RUTHENIUM COMPLEXES RPIA, NDUFS7, POP1 CA12 2557/4885CA1 2105/4885CA2 2695/4885

“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.