Sugi Predict

Sugi Predict / Compounds / SCHEMBL633283

SCHEMBL633283

SCHEMBL633283

CC(F)(F)C(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 6/20 0.67
▸ SRC P12931 1/20 0.48
▸ MLYCD O95822 1/20 0.46
▸ TSHR P16473 4/20 0.46
▸ CES2 O00748 4/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ DAO P14920 1/20 0.46
▸ NAPRT Q6XQN6 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ HSD17B10 Q99714 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ POLB P06746 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ PARP1 P09874 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ PMP22 Q01453 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL257751 0.87 SMN1; SMN2 (0.55) CES1ALDH1A1MAPTL3MBTL1
SCHEMBL11261530 0.86 CES1 (0.67) CES1SRCMLYCDTSHRCES2
SCHEMBL8780870 0.84 CES1 (0.64) CES1SRCMLYCDTSHRCES2
SCHEMBL9017510 0.82 CES1 (0.61) CES1SRCMLYCDTSHRCES2
SCHEMBL27459649 0.82 CES1 (0.61) CES1SRCMLYCDTSHRCES2
SCHEMBL5158726 0.82 CES1 (0.61) CES1SRCMLYCDTSHRCES2
SCHEMBL3134419 0.81 CES1 (0.60) CES1SRCMLYCDTSHRCES2
SCHEMBL13662398 0.80 CES1 (0.59) CES1SRCMLYCDTSHRCES2
SCHEMBL12216035 0.80 CES1 (0.54) CES1SRCTSHRCES2ALDH1A1
SCHEMBL7907262 0.80 CES1 (0.73) CES1SRCMLYCDTSHRCES2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227797-A1 TRANSAMINASE MUTANT AND USE THEREOF ASYMCHEM LABORATORIES (TIANJIN) CO., LTD. (CN) 2023-07-20 — — US disclosed
EP-3810613-B1 N-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2023-01-11 — — EP disclosed
US-11045745-B2 Reactive extraction of water University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-06-29 — — US disclosed
US-11045745-B2 Reactive extraction of water University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2021-06-29 — — US disclosed
WO-2021047166-A1 METHOD FOR SYNTHESIZING TRANYLCYPROMINE INTERMEDIATE 凯特立斯（深圳）科技有限公司 2021-03-18 — — WO disclosed
US-20200078703-A1 REACTIVE EXTRACTION OF WATER UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-03-12 — — US disclosed
WO-2019244047-A1 N-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2019-12-26 — — WO disclosed
WO-2018169928-A1 REACTIVE EXTRACTION OF WATER UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-09-20 — — WO disclosed
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2018-07-26 — — US disclosed
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-08-24 — — US disclosed
US-9708254-B2 Superacid functional compounds ARKEMA INC. (US) 2017-07-18 — — US disclosed
WO-2014165861-A1 METAL-CATALYZED COUPLING OF ARYL AND VINYL HALIDES WITH ALPHA, ALPHA-DIFLUOROCARBONYL COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-10-09 — — WO disclosed
US-20130131201-A1 SUPERACID FUNCTIONAL COMPOUNDS ARKEMA INC. (US) 2013-05-23 — — US disclosed
EP-2419400-A1 MONOAMINE REUPTAKE INHIBITORS RESEARCH TRIANGLE INSTITUTE (US) 2012-02-22 — — EP disclosed
US-20110251248-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2011-10-13 — — US disclosed
US-7601728-B2 Bicyclic pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-10-13 — — US disclosed
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-06-11 — — US disclosed
US-20070105890-A1 Novel condensed imidazole derivative DAINIPPON SUMITOMO PHARMA CO., LTD 2007-05-10 — — US disclosed
EP-1401819-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 — — EP disclosed
WO-2003000663-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 — — 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 (8 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-20200078703-A1 REACTIVE EXTRACTION OF WATER AQP1, AQP3, AQP4 CES1 4026/4885SRC 2013/4885MLYCD 2662/4885
US-20070105890-A1 Novel condensed imidazole derivative DPP4, DPP7, DPP3 CES1 101/4885SRC 2875/4885MLYCD 1783/4885
US-11045745-B2 Reactive extraction of water AQP1, AQP3, AQP4 CES1 4026/4885SRC 2013/4885MLYCD 2662/4885
US-20180212158-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS MSN, DDT, NECTIN4 CES1 3777/4885SRC 2498/4885MLYCD 402/4885
US-20110251248-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS GLP1R, GCGR, GPR119 CES1 834/4885SRC 4549/4885MLYCD 798/4885
US-20170244049-A1 ORGANIC LIGHT-EMITTING DIODE MATERIALS CYBA, DDT, DRD1 CES1 3250/4885SRC 1855/4885MLYCD 568/4885
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 CES1 40/4885SRC 2682/4885MLYCD 2020/4885
US-20130131201-A1 SUPERACID FUNCTIONAL COMPOUNDS AFF1, AFF2, AFF4 CES1 1107/4885SRC 2011/4885MLYCD 2722/4885

“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.