Sugi Predict

Sugi Predict / Compounds / SCHEMBL2632658

SCHEMBL2632658

SCHEMBL2632658

CC(C)c1nccc(C(F)(F)F)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 8/20 0.42
▸ IDH2 P48735 3/20 0.42
▸ SORD Q00796 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ OGA O60502 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CRHBP P24387 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ CRHR2 Q13324 1/20 0.37
▸ SYK P43405 2/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ TAS2R14 Q9NYV8 1/20 0.35
▸ HRH4 Q9H3N8 1/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ HTR2C P28335 2/20 0.35
▸ HTR2B P41595 2/20 0.35

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
SCHEMBL16843175 0.86 IDH1 (0.36) IDH1IDH2SORDSYKHRH4
SCHEMBL20892042 0.86 AAK1 (0.36) IDH1IDH2SORDHRH4
SCHEMBL22631511 0.85 IDH1 (0.40) IDH1IDH2SORDADRB1OGA
SCHEMBL25083976 0.82 IDH1 (0.39) IDH1IDH2SORDADRB1OGA
SCHEMBL19392519 0.82 IDH1 (0.39) IDH1IDH2SORDADRB1OGA
SCHEMBL26272932 0.82 IDH1 (0.39) IDH1IDH2SORDADRB1OGA
SCHEMBL12967092 0.82 SYK (0.36) SORDSYKHRH4
SCHEMBL20892048 0.78 HCRTR1 (0.37) SORDCYP3A4TSHRCYP2C19SYK
SCHEMBL27468413 0.77 ADRB1 (0.38) IDH1IDH2SORDADRB1SYK
SCHEMBL19225666 0.76 AAK1 (0.34) HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228535-A1 PROTEASE INHIBITORS FOR TREATING OR PREVENTING CORONAVIRUS INFECTION MERCK SHARP & DOHME LLC (US) 2024-07-11 — — US disclosed
EP-4031544-B1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR AND SULFOXIMINE CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2024-02-28 — — EP disclosed
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-11-09 — — US disclosed
US-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-10-26 — — US disclosed
US-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-10-26 — — US disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 — — EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 — — US disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 — — US disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 — — WO disclosed
WO-2023164234-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS AGIOS PHARMACEUTICALS, INC. (US) 2023-08-31 — — WO disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 — — US disclosed
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions BLAKE TANISHA D 2008-08-28 — — US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 — — US disclosed
US-20070287713-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 — — US disclosed
US-20070287713-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2007-12-13 — — US disclosed
US-7279485-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-09 — — US disclosed
US-7279485-B2 Substituted heterocyclic derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2007-10-09 — — US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 — — US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — 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 (9 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-20070161685-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 IDH1 1881/4885IDH2 2036/4885SORD 4130/4885
US-20230357254-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 IL17A, IL23R, IL15 IDH1 1145/4885IDH2 919/4885SORD 2715/4885
US-20240228535-A1 PROTEASE INHIBITORS FOR TREATING OR PREVENTING CORONAVIRUS INFECTION PRSS1, PRSS2, ACE2 IDH1 3244/4885IDH2 3572/4885SORD 4511/4885
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 IDH1 1881/4885IDH2 2036/4885SORD 4130/4885
US-20070287713-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD PYM1, GPR119, GLP1R IDH1 1434/4885IDH2 1289/4885SORD 3453/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK IDH1 218/4885IDH2 321/4885SORD 498/4885
US-20230339980-A1 COMPOUNDS AND METHODS USEFUL FOR STABILIZING PHENYLALANINE HYDROXYLASE MUTATIONS PAH, KDM8, PHF8 IDH1 20/4885IDH2 161/4885SORD 990/4885
US-20080207651-A1 Heterocyclic compounds useful in treating diseases and conditions CYP11B2, CYP11B1, LTC4S IDH1 1187/4885IDH2 844/4885SORD 416/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP IDH1 102/4885IDH2 206/4885SORD 1495/4885

“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.