SCHEMBL7369616

SCHEMBL7369616

NC(=O)c1ccc(C(F)(F)F)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.68
ERCC5 P28715 1/20 0.54
FEN1 P39748 1/20 0.54
F2 P00734 1/20 0.52
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
IKBKB O14920 1/20 0.42
RAB9A P51151 2/20 0.40
HTT P42858 1/20 0.40
EPHX2 P34913 1/20 0.39
HPGD P15428 2/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KMT2A Q03164 1/20 0.35
HDAC4 P56524 2/20 0.35
HDAC1 Q13547 2/20 0.35

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
SCHEMBL7008751 0.81 DAO (1.00) DAOERCC5FEN1TSHRLMNA
SCHEMBL13295221 0.79 LMNA (0.68) DAOERCC5FEN1TSHRLMNA
SCHEMBL12321245 0.79 YEATS4 (0.54) DAOERCC5FEN1F2TSHR
SCHEMBL3060952 0.79 DAO (0.68) DAOERCC5FEN1F2TSHR
SCHEMBL6616036 0.78 TSHR (0.50) DAOERCC5FEN1F2TSHR
SCHEMBL7371767 0.77 F2 (0.46) DAOERCC5FEN1F2TSHR
SCHEMBL6181512 0.77 F2 (0.71) DAOF2TSHRIKBKBRAB9A
SCHEMBL24198720 0.76 DAO (0.63) DAOERCC5FEN1TSHRLMNA
SCHEMBL6677272 0.76 DAO (0.89) DAOERCC5FEN1TSHRLMNA
SCHEMBL27244010 0.76 DAO (0.63) DAOERCC5FEN1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023109926-A1 SPIROOXINDOLE COMPOUND AND USE THEREOF IN PREPARATION OF PROTEASE INHIBITOR AS ANTIVIRAL DRUG 南京药石科技股份有限公司 2023-06-22 WO disclosed
US-20220249447-A1 CF3-, OCF3-, SCF3-, and SF5-Containing Antibacterial Agents PURDUE RESEARCH FOUNDATION 2022-08-11 US disclosed
EP-3958679-A1 CF3-, OCF3-, SCF3- AND SF5-CONTAINING ANTIBACTERIAL AGENTS Purdue Research Foundation (US) 2022-03-02 EP disclosed
US-20170202849-A1 ANTIPARASITIC COMPOUNDS AVISTA PHARMA SOLUTIONS, INC. 2017-07-20 US disclosed
US-9643963-B2 Antiparasitic compounds AVISTA PHARMA SOLUTIONS, INC. (US) 2017-05-09 US disclosed
US-20160280700-A1 ANTIPARASITIC COMPOUNDS SNAPDRAGON CHEMISTRY, INC. 2016-09-29 US disclosed
US-6380218-B1 FOR THERAPY OF RESPIRATORY, ALLERGIC, AND INFLAMMATORY DISORDERS COMPRISING ASTHMA, CHRONIC OBSTRUCTIVE PULMONARY DISEASE, ACUTE RESPIRATORY DISEASE SYNDROME, PULMONARY HYPERSENSITIVITY, AND ALLERGIC RHINITIS IN A MAMMAL PFIZER INC 2002-04-30 US disclosed
CN-1254335-A Nicotinamide derivatives PFIZER PROD INC (US) 2000-05-24 CN disclosed
EP-0971894-A1 NICOTINAMIDE DERIVATIVES Pfizer Products Inc. (US) 2000-01-19 EP disclosed
WO-1998045268-A1 NICOTINAMIDE DERIVATIVES PFIZER PRODUCTS INC. (US) 1998-10-15 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 (3 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-20220249447-A1 CF3-, OCF3-, SCF3-, and SF5-Containing Antibacterial Agents SFXN3, CCR3, SF3A3 DAO 3815/4885ERCC5 1342/4885FEN1 1725/4885
US-20160280700-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 DAO 345/4885ERCC5 4154/4885FEN1 2288/4885
US-20170202849-A1 ANTIPARASITIC COMPOUNDS TPP2, TPP1, SERPINB1 DAO 345/4885ERCC5 4154/4885FEN1 2288/4885

“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.