SCHEMBL6833972

SCHEMBL6833972

Cc1sc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc1S(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.44
MAPT P10636 6/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 2/20 0.44
GBA1 P04062 1/20 0.44
GAA P10253 1/20 0.44
SMPD1 P17405 1/20 0.44
ELANE P08246 2/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL6818779 0.90 ALB (0.51) ALBMAPTMEN1KMT2APOLB
SCHEMBL6834058 0.89 MAPT (0.49) ALBMAPTMEN1KMT2AHSD17B10
SCHEMBL6833979 0.86 HTT (0.52) ALBMAPTMEN1KMT2AHSD17B10
SCHEMBL6819583 0.84 ALB (0.53) ALBMAPTMEN1KMT2APOLB
SCHEMBL6932502 0.83 ALB (0.54) ALBMAPTMEN1KMT2APOLB
SCHEMBL6818233 0.83 ALB (0.47) ALBMEN1KMT2APOLBGAA
SCHEMBL6930797 0.82 ALB (0.53) ALBMAPTMEN1KMT2APOLB
SCHEMBL6352236 0.82 PPARG (0.58) ALBSMN1; SMN2LMNATP53
SCHEMBL6821690 0.82 ALB (0.49) ALBMAPTMEN1KMT2ATSHR
SCHEMBL6830633 0.81 MEN1 (0.48) ALBMAPTMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ALB 1417/4885MAPT 4759/4885MEN1 4132/4885

“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.