SCHEMBL2964906

SCHEMBL2964906

CC(OC(=O)c1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)ccc1Cl)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.36
CTSB P07858 1/20 0.36
LMNA P02545 3/20 0.36
THRB P10828 1/20 0.36
PPARG P37231 3/20 0.36
NOTUM Q6P988 4/20 0.35
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TP53 P04637 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
POLB P06746 2/20 0.32
NSD2 O96028 1/20 0.32

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
SCHEMBL2961429 1.00 TDP1 (0.36) TDP1CTSBLMNATHRBPPARG
SCHEMBL6552716 0.92 LMNA (0.36) TDP1CTSBLMNATHRBPPARG
SCHEMBL2966447 0.92 LMNA (0.36) TDP1CTSBLMNATHRBPPARG
SCHEMBL2968009 0.92 LMNA (0.36) TDP1CTSBLMNATHRBPPARG
SCHEMBL6553961 0.91 LMNA (0.36) TDP1CTSBLMNATHRBPPARG
SCHEMBL44446 0.91 ALDH1A1 (0.38) TDP1CTSBLMNATHRBNOTUM
SCHEMBL4897613 0.91 ALDH1A1 (0.38) TDP1CTSBLMNATHRBNOTUM
SCHEMBL7949966 0.90 LMNA (0.39) TDP1CTSBLMNATHRBPPARG
SCHEMBL5691797 0.90 LMNA (0.39) TDP1CTSBLMNATHRBPPARG
SCHEMBL6553650 0.89 CYP4F2 (0.34) TDP1CTSBLMNATHRBPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0436680-B1 HETEROCYCLIC COMPOUNDS CIBA GEIGY AG (CH) 1994-09-07 EP claimed
US-7767624-B2 3-Heterocyclyl substituted benzoic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2010-08-03 US disclosed
US-20050239655-A1 3-heterocyclyl substituted benzoic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2005-10-27 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 (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 4324/4885LMNA 3577/4885

“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.