Sugi Predict

Sugi Predict / Compounds / SCHEMBL3738199

SCHEMBL3738199

SCHEMBL3738199

C=CC(=O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.65
▸ MAOB P27338 3/20 0.60
▸ ALDH1A1 P00352 2/20 0.60
▸ SRD5A2 P31213 1/20 0.54
▸ AKT1 P31749 1/20 0.52
▸ LMNA P02545 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ P2RX1 P51575 1/20 0.51
▸ POLB P06746 2/20 0.50
▸ PTGS1 P23219 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ KCNK3 O14649 1/20 0.49

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
SCHEMBL29433919 1.00 CES2 (0.65) CES2MAOBALDH1A1SRD5A2AKT1
SCHEMBL1031954 0.84 CES2 (0.67) CES2MAOBALDH1A1SRD5A2LMNA
SCHEMBL29742914 0.84 CES2 (0.67) CES2MAOBALDH1A1SRD5A2LMNA
SCHEMBL28795999 0.82 ALDH1A1 (0.65) CES2MAOBALDH1A1SRD5A2LMNA
SCHEMBL23659106 0.82 CES2 (0.65) CES2MAOBALDH1A1SRD5A2LMNA
SCHEMBL14684317 0.81 CES2 (0.59) CES2MAOBALDH1A1AKT1P2RX1
SCHEMBL11461960 0.81 MAOB (0.68) CES2MAOBALDH1A1SRD5A2LMNA
SCHEMBL195557 0.79 CES2 (0.71) CES2MAOBALDH1A1SRD5A2LMNA
SCHEMBL10920185 0.79 MAOB (0.70) CES2MAOBALDH1A1SRD5A2LMNA
SCHEMBL9586253 0.79 ALDH1A1 (0.70) CES2MAOBALDH1A1SRD5A2LMNA

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
CN-104592037-A Synthesis method of cinacalcet UNIV ZHEJIANG 2015-05-06 — — CN claimed
CN-117945820-A Method for synthesizing alpha, beta-unsaturated aldehyde compound by copper catalysis 江苏海洋大学 2024-04-30 — — CN disclosed
US-20230322753-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOI INC. (KR) 2023-10-12 — — US disclosed
US-20230322753-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOI INC. (KR) 2023-10-12 — — US disclosed
US-20230322753-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOI INC. (KR) 2023-10-12 — — US disclosed
EP-4215529-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Voronoibio Inc. (KR) 2023-07-26 — — EP disclosed
CN-116194111-A Heteroaryl derivatives, process for preparing the same, and pharmaceutical compositions containing the same as active ingredient 株式会社沃若诺伊生物 2023-05-30 — — CN disclosed
CN-113121388-B Cinacalcet intermediate and synthetic method of cinacalcet hydrochloride 西华大学 2021-11-12 — — CN disclosed
CN-113121388-A Cinacalcet intermediate and synthetic method of cinacalcet hydrochloride 西华大学 2021-07-16 — — CN disclosed
CN-104844422-A Preparation method of substituted cinnamyl alcohol compound UNIV DALIAN TECH 2015-08-19 — — CN disclosed
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT J 2007-02-08 — — US disclosed
EP-1606255-A4 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2007-02-07 — — EP disclosed
US-7163937-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-16 — — US disclosed
WO-2006036527-A1 SUBSTITUTED DIPIPERDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-04-06 — — WO disclosed
EP-1606255-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Company (US) 2005-12-21 — — EP disclosed
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 — — US disclosed
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-09-23 — — US disclosed
WO-2004071460-A2 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-26 — — WO disclosed
EP-0912567-A1 CARBOLINE DERIVATIVES ICOS CORPORATION (US) 1999-05-06 — — EP disclosed
WO-1997043287-A1 CARBOLINE DERIVATIVES ICOS CORPORATION (US) 1997-11-20 — — 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-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 CES2 2992/4885MAOB 3126/4885ALDH1A1 1039/4885
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CES2 2825/4885MAOB 2893/4885ALDH1A1 1195/4885
US-20050054627-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 CES2 3062/4885MAOB 3084/4885ALDH1A1 1402/4885
US-20230322753-A1 HETEROARYL DERIVATIVE, METHOD FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT ERBB4, ERBB2, ERBB3 CES2 3749/4885MAOB 3013/4885ALDH1A1 2285/4885

“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.