SCHEMBL3602948

SCHEMBL3602948

Cc1nn(Cc2ccc(Cl)c(Cl)c2)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 1/20 0.48
GAA P10253 2/20 0.47
HTT P42858 2/20 0.47
GFER P55789 1/20 0.47
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ABCB11 O95342 2/20 0.44
PIK3C2B O00750 1/20 0.44
NLRP3 Q96P20 1/20 0.44
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KLKB1 P03952 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.42
CCR2 P41597 4/20 0.42
PTPRG P23470 1/20 0.42

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
SCHEMBL3610766 0.85 TEAD2 (0.52) SCD5GAAHTTKMT2ATSHR
SCHEMBL6052401 0.83 ALDH1A1 (0.56) GAAKMT2AALDH1A1L3MBTL1KLKB1
SCHEMBL1047554 0.80 KMT2A (0.55) KMT2AALDH1A1L3MBTL1
SCHEMBL19779886 0.79 KLKB1 (0.49) KLKB1
SCHEMBL16246824 0.78 KLKB1 (0.59) HSD17B10KLKB1
SCHEMBL21523638 0.77 KMT2A (0.49) SCD5HTTKMT2ATSHRMAPK1
SCHEMBL21523737 0.75 RAB9A (0.50) SCD5HTTKMT2ATSHRMAPK1
SCHEMBL3599741 0.73 KMT2A (0.52) GAAHTTGFERKMT2ATSHR
SCHEMBL14343418 0.73 KLKB1 (0.53) GAAKMT2ATSHRALDH1A1L3MBTL1
SCHEMBL3657502 0.72 EGLN1 (0.53) KMT2ATSHRMAPK1HSD17B10ABCB11

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-20100041696-A1 Compounds SMITHKLINE BEECHAM CORPORATION 2010-02-18 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-20100041696-A1 Compounds CYP11B2, SCD, CYP3A5 SCD5 4/4885GAA 411/4885HTT 2376/4885

“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.