SCHEMBL6848053

SCHEMBL6848053

COC(=O)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.67
MRGPRX4 Q96LA9 2/20 0.55
PDK2 Q15119 1/20 0.48
ABL1 P00519 1/20 0.46
PDE2A O00408 1/20 0.46
CES2 O00748 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
MCL1 Q07820 1/20 0.45
KDM4E B2RXH2 4/20 0.45
CYP2C19 P33261 3/20 0.45
HPGD P15428 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 2/20 0.45
MEN1 O00255 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 3/20 0.45

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
SCHEMBL21434752 0.89 CFTR (0.53) CFTRMRGPRX4PDK2ABL1KMT2A
SCHEMBL3115745 0.87 CFTR (0.62) CFTRMRGPRX4CES2KMT2AMCL1
SCHEMBL28527878 0.86 CFTR (0.51) CFTRMRGPRX4PDK2PDE2ACES2
SCHEMBL2892506 0.85 CFTR (0.47) CFTRMRGPRX4PDK2ABL1KMT2A
SCHEMBL4057367 0.85 KDM4E (0.52) CFTRMRGPRX4PDK2ABL1ATM
SCHEMBL22263091 0.84 CFTR (0.73) CFTRMRGPRX4PDK2CES2ATM
SCHEMBL21434673 0.83 CFTR (0.46) CFTRMRGPRX4PDK2ABL1KMT2A
SCHEMBL167426 0.83 CFTR (0.71) CFTRMRGPRX4PDK2CES2ATM
SCHEMBL6849228 0.83 MRGPRX4 (0.59) CFTRMRGPRX4KMT2AKDM4EMEN1
SCHEMBL2002005 0.81 CFTR (0.69) CFTRMRGPRX4PDK2CES2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104926702-A Preparation method for 2-methylmercapto-4-thrifluoromethyl benzoate HUNAN HAILI CHEMICAL INDUSTRY CO LTD 2015-09-23 CN disclosed
CN-1176071-C Process for preparation of 2-alkylthio benzoic acid derivatives ����-���ʿ�ũҵ��˾ 2004-11-17 CN disclosed
US-6777575-B2 BY REACTING AN ALKYLMERCAPTAN WITH THE CORRESPONDING 2-HALO OR 2-NITRO BENZOIC ACID DERIVATIVE; USEFUL AS INTERMEDIATES TO HERBICIDES RHONE-POULENC AGRO (FR) 2004-08-17 US disclosed
CN-1135210-C Process for preparation of 1-aryl-3-cyclopropyl-1,3-propanediones ����-���ʿ�ũҵ��˾ 2004-01-21 CN disclosed
EP-0994840-B1 PROCESS FOR THE PREPARATION OF 1-ARYL-3-CYCLOPROPYL-1,3-PROPANEDIONES BAYER CROPSCIENCE SA (FR) 2003-05-14 EP disclosed
US-6486356-B2 REACTINBG AN ARONATIC ESTER WITH CYCLOPROPYL METHYL KETONE RHONE-POULENC AGRO (FR) 2002-11-26 US disclosed
US-20020103396-A1 PROCESS FOR THE PREPARATION OF 2-ALKYLTHIO BENZOIC ACID DERIVATIVES RHONE-POULENC AGRO (FR) 2002-08-01 US disclosed
US-20020002309-A1 PROCESS FOR THE PREPARATION OF 1-ARYL-3-CYCLOPROPYL-1,3-PROPANEDIONES RHONE-POULENC AGRO (FR) 2002-01-03 US disclosed
CN-1262670-A Preparation method of 1-aryl-3-cyclopropyl-1, 3-propanedione RHONE POULENC AGROCHIMIE (FR) 2000-08-09 CN disclosed
CN-1262673-A Process for preparation of 2-alkylthio benzoic acid derivatives RHONE POULENC AGROCHIMIE (FR) 2000-08-09 CN disclosed
US-5744021-A 2-alkylmercapto-4-(trifluoromethyl)benzoic esters and a process for their preparation HOECHST AG (DE) 1998-04-28 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-20020103396-A1 PROCESS FOR THE PREPARATION OF 2-ALKYLTHIO BENZOIC ACID DERIVATIVES HAX1, BRIX1, SFXN1 CFTR 1260/4885MRGPRX4 370/4885PDK2 3247/4885
US-20020002309-A1 PROCESS FOR THE PREPARATION OF 1-ARYL-3-CYCLOPROPYL-1,3-PROPANEDIONES CYP1B1, CYP11B1, ADH1C CFTR 747/4885MRGPRX4 3159/4885PDK2 190/4885

“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.