Sugi Predict

Sugi Predict / Compounds / SCHEMBL745694

SCHEMBL745694

SCHEMBL745694

O/N=C(\Cl)c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.56
▸ SRD5A2 P31213 1/20 0.47
▸ MGLL Q99685 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ P2RX1 P51575 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KCNQ3 O43525 1/20 0.43
▸ KCNQ2 O43526 1/20 0.43
▸ KCNE1 P15382 1/20 0.43
▸ KCNQ1 P51787 1/20 0.43
▸ HTR3E A5X5Y0 1/20 0.43
▸ HTR3B O95264 1/20 0.43
▸ HTR3A P46098 1/20 0.43
▸ HTR3D Q70Z44 1/20 0.43
▸ HTR3C Q8WXA8 1/20 0.43

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
SCHEMBL4039614 1.00 CES2 (0.56) CES2SRD5A2MGLLHTTMEN1
SCHEMBL745695 1.00 CES2 (0.56) CES2SRD5A2MGLLHTTMEN1
SCHEMBL30387424 1.00 CES2 (0.56) CES2SRD5A2MGLLHTTMEN1
SCHEMBL25336306 0.81 ACHE (0.50) CES2MEN1KMT2AHPGD
SCHEMBL13599715 0.80 CES2 (0.50) CES2KMT2ALMNANPSR1P2RX1
SCHEMBL15944873 0.80 NPSR1 (0.51) CES2SRD5A2MGLLHTTMEN1
SCHEMBL3628848 0.78 KMT2A (0.62) CES2SRD5A2HTTMEN1KMT2A
SCHEMBL642821 0.78 CES2 (0.56) CES2SRD5A2MEN1KMT2AHTR3E
SCHEMBL9799542 0.78 CES2 (0.56) CES2SRD5A2HTTMEN1KMT2A
SCHEMBL9799873 0.78 CES2 (0.56) CES2SRD5A2HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 — — WO disclosed
EP-4173485-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-03 — — EP disclosed
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2017-02-23 — — US disclosed
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2017-02-23 — — US disclosed
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2017-02-23 — — US disclosed
EP-2699566-B1 PHENYL-ISOXAZOL DERIVATIVES AND PREPARATION PROCESS THEREOF IL-YANG PHARM CO LTD (KR) 2017-02-22 — — EP disclosed
US-9132126-B2 Phenyl-isoxazole derivatives and preparation process thereof IL-YANG PHARM. CO., LTD. (KR) 2015-09-15 — — US disclosed
US-20150231114-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS PFIZER (US) 2015-08-20 — — US disclosed
US-20150231114-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS PFIZER (US) 2015-08-20 — — US disclosed
US-20150231114-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS PFIZER (US) 2015-08-20 — — US disclosed
EP-1696919-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS Incyte Corporation (US) 2006-09-06 — — EP disclosed
US-20060166906-A1 6-O-substituted erythromycin derivatives having improved gastrointestinal tolerance ABBOTT LABORATORIES 2006-07-27 — — US disclosed
US-20060084690-A1 Isoxazole derivatives MOMOSE YU 2006-04-20 — — US disclosed
US-7022725-B2 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-04-04 — — US disclosed
US-20050192302-A1 3-Cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors PFIZER INC. 2005-09-01 — — US disclosed
EP-1565436-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-08-24 — — EP disclosed
WO-2005060665-A2 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2005-07-07 — — WO disclosed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 — — WO disclosed
US-20040048908-A1 Isoxazole derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-11 — — US disclosed
EP-1340749-A1 ISOXAZOLE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-09-03 — — EP 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 (6 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-20050192302-A1 3-Cycloalkylaminopyrrolidine derivatives as modulators of chemokine receptors CCR2, CCR5, CXCR3 CES2 2332/4885SRD5A2 1767/4885MGLL 2197/4885
US-20060166906-A1 6-O-substituted erythromycin derivatives having improved gastrointestinal tolerance CYP2D6, CYP2B6, UGT1A6 CES2 210/4885SRD5A2 250/4885MGLL 249/4885
US-20060084690-A1 Isoxazole derivatives INSR, GPR119, INSRR CES2 1279/4885SRD5A2 118/4885MGLL 3212/4885
US-20150231114-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 CES2 2600/4885SRD5A2 1740/4885MGLL 2468/4885
US-20040048908-A1 Isoxazole derivatives GPR119, INSR, IRS1 CES2 1058/4885SRD5A2 142/4885MGLL 2781/4885
US-20170050942-A1 3-CYCLOALKYLAMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CCR5, CXCR3 CES2 2332/4885SRD5A2 1767/4885MGLL 2197/4885

“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.