Sugi Predict

Sugi Predict / Compounds / SCHEMBL761783

SCHEMBL761783

SCHEMBL761783

CCOC(=O)C(C)(C)CC(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 3/20 0.48
▸ CYP4A11 Q02928 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.39
▸ PKM P14618 3/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ THRB P10828 1/20 0.36
▸ ABCB11 O95342 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MGAM O43451 1/20 0.36

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
SCHEMBL18363110 0.86 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL21735205 0.83 MMP8 (0.46) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL14873553 0.82 CYP4F2 (0.52) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL12788167 0.78 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL8094002 0.78 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL8193495 0.78 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL12370572 0.78 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL8209270 0.78 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL10027503 0.78 CYP4F2 (0.48) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL18940251 0.78 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1PKMMMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2021-04-13 — — US disclosed
CN-112566901-A Phenyl-substituted pyrazoles as modulators of ROR γ t 詹森药业有限公司 2021-03-26 — — CN disclosed
EP-3790865-A1 PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORYT Janssen Pharmaceutica NV (BE) 2021-03-17 — — EP disclosed
WO-2019243999-A1 PHENYL SUBSTITUTED PYRAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 — — WO disclosed
US-8765784-B2 Positive allosteric modulators of MGLUR2 MERCK SHARP & DOHME CORP. (US) 2014-07-01 — — US disclosed
US-8642576-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-02-04 — — US disclosed
US-20130210768-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 MERCK SHARP & DOHME LLC 2013-08-15 — — US disclosed
EP-2579717-A2 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 Merck Sharp & Dohme Corp. (US) 2013-04-17 — — EP disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 — — US disclosed
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-12-20 — — US disclosed
US-7790770-B2 Heterocyclic CETP inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-09-07 — — US disclosed
EP-2061470-A2 HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES Neurogen Corporation (US) 2009-05-27 — — EP disclosed
EP-1954668-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS Brystol-Myers Squibb Company (US) 2008-08-13 — — EP disclosed
US-20080090845-A1 Haloalkyl-substituted pyrimidinone derivatives NEUROGEN CORPORATION (US) 2008-04-17 — — US disclosed
WO-2008024433-A2 HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2008-02-28 — — WO disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 — — US disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — WO disclosed
WO-2007062308-A2 HOMO- AND HETEROCYCLIC COMPOUNDS SUITABLE AS CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 — — 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 (5 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-20080090845-A1 Haloalkyl-substituted pyrimidinone derivatives PIGS, GPR174, GPR17 CYP4F2 737/4885CYP4A11 1852/4885ALDH1A1 461/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CYP4F2 1512/4885CYP4A11 357/4885ALDH1A1 2353/4885
US-10975037-B2 Phenyl substituted pyrazoles as modulators of RORγt RORC, RORB, RORA CYP4F2 1054/4885CYP4A11 111/4885ALDH1A1 801/4885
US-20130210768-A1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 GRM2, GRM1, GRIA2 CYP4F2 2561/4885CYP4A11 3581/4885ALDH1A1 4178/4885
US-20120322761-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CYP4F2 1512/4885CYP4A11 357/4885ALDH1A1 2353/4885

“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.