SCHEMBL2969894

SCHEMBL2969894

Cn1c(C(F)(F)F)cc(=O)n(-c2ccc(Cl)c(C(=O)OC(C)(C)C(=O)Cl)c2)c1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
CTSB P07858 1/20 0.34
NOTUM Q6P988 3/20 0.34
PPARD Q03181 6/20 0.33
PPARA Q07869 6/20 0.33
PPARG P37231 5/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NSD2 O96028 1/20 0.30
POLB P06746 1/20 0.30
PKM P14618 1/20 0.30
APEX1 P27695 1/20 0.30

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
SCHEMBL6426453 0.92 PPARD (0.38) TDP1CTSBNOTUMPPARDPPARA
SCHEMBL9350533 0.90 CTSB (0.33) TDP1CTSBNOTUMPPARDPPARA
SCHEMBL6553913 0.90 MEN1 (0.35) TDP1CTSBNOTUMPPARDPPARA
SCHEMBL6553785 0.88 CYP4F2 (0.34) TDP1CTSBNOTUMPPARDPPARA
SCHEMBL8871939 0.87 MEN1 (0.33) TDP1CTSBNOTUMKMT2AMEN1
SCHEMBL6697536 0.86 MEN1 (0.44) TDP1CTSBNOTUMKMT2AMEN1
SCHEMBL28728815 0.86 CTSB (0.31) TDP1CTSBNOTUMPPARDPPARA
SCHEMBL14036918 0.86 ALDH1A1 (0.32) TDP1CTSBNOTUMPPARDPPARA
SCHEMBL9354147 0.85 PPARD (0.35) TDP1CTSBNOTUMPPARDPPARA
SCHEMBL9168174 0.85 TDP1 (0.40) TDP1CTSBNOTUMKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767624-B2 3-Heterocyclyl substituted benzoic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2010-08-03 US disclosed
EP-1527052-B1 3-HETEROCYCLYL SUBSTITUTED BENZOIC ACID DERIVATIVES BASF AG (DE) 2006-05-31 EP disclosed
US-20050239655-A1 3-heterocyclyl substituted benzoic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2005-10-27 US disclosed
US-5599771-A PREEMERGENCE, POSTEMERGENCE CIBA-GEIGY CORPORATION (US) 1997-02-04 US disclosed
WO-1994024128-A1 3-ARYLURACIL DERIVATIVES AND THEIR USE AS HERBICIDES CIBA-GEIGY AG (CH) 1994-10-27 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 (1 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-20050239655-A1 3-heterocyclyl substituted benzoic acid derivatives DDT, CBR3, BROX TDP1 1161/4885CTSB 4324/4885NOTUM 2395/4885

“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.