Sugi Predict

Sugi Predict / Compounds / SCHEMBL744906

SCHEMBL744906

SCHEMBL744906

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 1/20 0.62
▸ WNT3A P56704 1/20 0.62
▸ CES2 O00748 1/20 0.61
▸ NR4A2 P43354 1/20 0.56
▸ SRD5A2 P31213 1/20 0.55
▸ LMNA P02545 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ GAA P10253 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ KMT2A Q03164 2/20 0.50
▸ MAOB P27338 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ KCNK3 O14649 1/20 0.50
▸ TBXA2R P21731 2/20 0.49
▸ TBXAS1 P24557 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RECQL P46063 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
SCHEMBL2743374 0.90 CES2 (0.57) CTNNB1WNT3ACES2SRD5A2LMNA
SCHEMBL5851344 0.90 CES2 (0.57) CTNNB1WNT3ACES2SRD5A2TBXA2R
SCHEMBL5849210 0.89 HDAC3 (0.60) CTNNB1WNT3ACES2SRD5A2LMNA
SCHEMBL8384433 0.85 CTNNB1 (0.60) CTNNB1WNT3ACES2SRD5A2LMNA
SCHEMBL3032732 0.85 CTNNB1 (0.60) CTNNB1WNT3ACES2SRD5A2ALDH1A1
SCHEMBL31557727 0.85 CES2 (0.62) CTNNB1WNT3ACES2SRD5A2LMNA
SCHEMBL1421024 0.85 CES2 (0.62) CTNNB1WNT3ACES2SRD5A2LMNA
SCHEMBL25348845 0.83 CES2 (0.61) CTNNB1WNT3ACES2SRD5A2LMNA
SCHEMBL9468405 0.83 ALDH1A1 (0.61) CTNNB1WNT3ACES2SRD5A2LMNA
SCHEMBL2096246 0.83 CES2 (0.61) CTNNB1WNT3ACES2SRD5A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102153539-B As the 3-amino-pyrrolidine derivatives of chemokine receptor modulators Because of C1-esteraseremmer-N parent corporation (US) 2016-01-13 — — CN disclosed
US-8729063-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2014-05-20 — — US disclosed
EP-1620391-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2014-01-15 — — EP disclosed
US-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2013-05-09 — — US disclosed
US-8362003-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2013-01-29 — — US disclosed
EP-1565436-B1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORP (US) 2012-04-25 — — EP disclosed
EP-2431357-A2 3-Aminopyrrolidine Derivatives as Modulators of Chemokine Receptors Incyte Corporation (US) 2012-03-21 — — EP disclosed
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION 2011-10-13 — — US disclosed
CN-102153539-A 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORP 2011-08-17 — — CN disclosed
US-7985730-B2 3-aminopyrrolidine derivatives as modulators of chemokine receptors INCYTE CORPORATION (US) 2011-07-26 — — US disclosed
WO-2004050024-A2 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS INCYTE CORPORATION (US) 2004-06-17 — — WO disclosed
CN-1045590-C Hydrazine derivative and application of same NIHON NOHYAKU CO LTD (JP) 1999-10-13 — — CN disclosed
EP-0657421-B1 Hydrazine derivatives and their use as insecticides NIHON NOHYAKU CO LTD (JP) 1999-04-21 — — EP disclosed
US-5608109-A AGRICULTURAL AND HORTICULTURAL INSECTICIDE NIHON NOHYAKU CO., LTD. (JP) 1997-03-04 — — US disclosed
EP-0657421-A1 Hydrazine derivatives and their use as insecticides NIHON NOHYAKU CO., LTD. (JP) 1995-06-14 — — EP disclosed
US-4808599-A IMMUNOMODULATORY, CARDIOTONIC AGENTS RHONE-POULENC SANTE (FR) 1989-02-28 — — US disclosed
EP-0010347-B1 NOVEL SUBSTITUTED OMEGA-AROYL(PROPIONYL OR BUTYRYL)-L-PROLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION AMERICAN CYANAMID COMPANY (US) 1983-11-09 — — EP disclosed
US-4226775-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1980-10-07 — — US disclosed
EP-0010347-A1 Novel substituted omega-aroyl(propionyl or butyryl)-L-prolines, pharmaceutical compositions containing them and processes for their preparation AMERICAN CYANAMID COMPANY (US) 1980-04-30 — — EP disclosed
US-3947460-A SEDATIVES-HYPNOTIC, TRANQUILIZER SANDOZ, INC. (US) 1976-03-30 — — 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 (2 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-20130116230-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 CTNNB1 4011/4885WNT3A 1908/4885CES2 3627/4885
US-20110251168-A1 3-AMINOPYRROLIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTORS CCR2, CXCR3, CCR5 CTNNB1 4011/4885WNT3A 1908/4885CES2 3627/4885

“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.