Sugi Predict

Sugi Predict / Compounds / SCHEMBL2164148

SCHEMBL2164148

SCHEMBL2164148

O=C(O)C(=O)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.61
▸ KMT2A Q03164 3/20 0.61
▸ MAPT P10636 1/20 0.61
▸ ACP3 P15309 1/20 0.54
▸ HTT P42858 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ NR4A2 P43354 2/20 0.51
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC8 Q9BY41 2/20 0.50
▸ SMYD3 Q9H7B4 1/20 0.50
▸ EPHX1 P07099 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.49
▸ HDAC3 O15379 1/20 0.49
▸ HDAC4 P56524 1/20 0.49
▸ HDAC7 Q8WUI4 1/20 0.49
▸ HDAC2 Q92769 1/20 0.49
▸ HDAC10 Q969S8 1/20 0.49
▸ HDAC11 Q96DB2 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
SCHEMBL29935522 0.86 MEN1 (0.65) MEN1KMT2AMAPTACP3HTT
SCHEMBL378581 0.86 MEN1 (0.65) MEN1KMT2AMAPTACP3HTT
SCHEMBL6684469 0.85 MEN1 (0.56) MEN1KMT2AMAPTACP3HTT
Hydrochloric Acid SCHEMBL2525493 0.84 MEN1 (0.63) MEN1KMT2AMAPTACP3HTT
SCHEMBL6865758 0.84 MEN1 (0.62) MEN1KMT2AMAPTACP3HTT
Phenylacetic Acid SCHEMBL1807174 0.83 MEN1 (0.66) MEN1KMT2AMAPTACP3HTT
SCHEMBL10900761 0.83 MEN1 (0.66) MEN1KMT2AMAPTACP3HTT
SCHEMBL30235602 0.83 MEN1 (0.66) MEN1KMT2AMAPTACP3HTT
SCHEMBL10389717 0.83 CYP1A2 (0.54) MEN1KMT2AMAPTALDH1A1HDAC8
SCHEMBL11808569 0.82 MEN1 (0.60) MEN1KMT2AMAPTACP3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111704577-A Preparation method of cinacalcet hydrochloride 华北水利水电大学 2020-09-25 — — CN claimed
CN-111704577-A Preparation method of cinacalcet hydrochloride 华北水利水电大学 2020-09-25 — — CN disclosed
US-10174065-B2 Antidiabetic enolic glucoside of phenylpyruvic acid ZADEC APS (DK) 2019-01-08 — — US disclosed
US-20160083411-A1 ANTIDIABETIC ENOLIC GLUCOSIDE OF PHENYLPYRUVIC ACID ZADEC APS (DK) 2016-03-24 — — US disclosed
US-9221860-B2 Antidiabetic enolic glucoside of phenylpyruvic acid ZADEC APS (DK) 2015-12-29 — — US disclosed
EP-2625184-B1 ANTIDIABETIC ENOLIC GLUCOSIDE OF PHENYLPYRUVIC ACID ZADEC APS (DK) 2014-10-01 — — EP disclosed
US-20130310331-A1 ANTIDIABETIC ENOLIC GLUCOSIDE OF PHENYLPYRUVIC ACID ZADEC APS (DK) 2013-11-21 — — US disclosed
EP-2625184-A1 ANTIDIABETIC ENOLIC GLUCOSIDE OF PHENYLPYRUVIC ACID Zadec ApS (DK) 2013-08-14 — — EP disclosed
EP-1992349-B1 CGRP antagonists, their preparation and use as a medicament BOEHRINGER INGELHEIM INT (DE) 2013-07-31 — — EP disclosed
WO-2012045363-A1 ANTIDIABETIC ENOLIC GLUCOSIDE OF PHENYLPYRUVIC ACID ZADEC APS (DK) 2012-04-12 — — WO disclosed
EP-1992349-A1 CGRP antagonists, their preparation and use as a medicament Boehringer Ingelheim International GmbH (DE) 2008-11-19 — — EP disclosed
EP-1863791-B1 2-OXO-1,2,4,5-TETRAHYDRO-1,3-BENZODIAZEPIN-3-YL-PIPERIDINES USED AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2008-11-12 — — EP disclosed
CN-101146790-A 2-okso-1,2,4,5-tetrahydro-1,3-benzodiazepin-3-yl-piperidiner anvendt som cgrp-antagonister BOEHRINGER INGELHEIM INT (DE) 2008-03-19 — — CN disclosed
EP-1863791-A1 2-OXO-1,2,4,5-TETRAHYDRO-1,3-BENZODIAZEPIN-3-YL-PIPERIDINES USED AS CGRP ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2007-12-12 — — EP disclosed
CN-1976916-A Selected CGRP-antagonists, method for the production thereof and their use as medicaments BOEHRINGER INGELHEIM INT (DE) 2007-06-06 — — CN disclosed
EP-1732917-A1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-12-20 — — EP disclosed
US-20060252750-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 — — US disclosed
WO-2006100026-A1 2-OXO-1,2,4,5-TETRAHYDRO-1,3-BENZODIAZEPIN-3-YL-PIPERIDINES USED AS CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-09-28 — — WO disclosed
WO-2005092880-A1 SELECTED CGRP ANTAGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-10-06 — — WO disclosed
US-4992544-A Intermediates for b-lactam antibiotics and b-lactamase inhibitor UNIVERSITY OF NOTRE DAME DU LAC (US) 1991-02-12 — — 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 (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-10174065-B2 Antidiabetic enolic glucoside of phenylpyruvic acid PC, SLC5A1, SLC5A2 MEN1 3508/4885KMT2A 4011/4885MAPT 2914/4885
US-20160083411-A1 ANTIDIABETIC ENOLIC GLUCOSIDE OF PHENYLPYRUVIC ACID PC, SLC5A1, SLC5A2 MEN1 3508/4885KMT2A 4011/4885MAPT 2914/4885
US-20060252750-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA MEN1 552/4885KMT2A 4658/4885MAPT 972/4885
US-20130310331-A1 ANTIDIABETIC ENOLIC GLUCOSIDE OF PHENYLPYRUVIC ACID PC, SLC5A1, SLC5A2 MEN1 3508/4885KMT2A 4011/4885MAPT 2914/4885

“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.