SCHEMBL12757010

SCHEMBL12757010

Cc1ccc([N+](=O)[O-])c(S(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
CYP3A4 P08684 1/20 0.53
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 1/20 0.43
PTPN1 P18031 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.41
KAT2B Q92831 1/20 0.40
ALDH3A1 P30838 1/20 0.40
ALDH1A1 P00352 2/20 0.40
VCAM1 P19320 1/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ATM Q13315 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
SCHEMBL15703077 0.80 TSHR (0.60) TSHRCYP3A4MEN1KMT2ARAB9A
SCHEMBL30908542 0.80 TSHR (0.60) TSHRCYP3A4MEN1KMT2ARAB9A
SCHEMBL20651236 0.80 TSHR (0.60) TSHRCYP3A4MEN1KMT2ARAB9A
SCHEMBL28778586 0.78 TSHR (0.58) TSHRCYP3A4MEN1KMT2ARAB9A
SCHEMBL139871 0.78 TSHR (0.58) TSHRCYP3A4MEN1KMT2ARAB9A
SCHEMBL29769161 0.78 TSHR (0.58) TSHRCYP3A4MEN1KMT2ARAB9A
SCHEMBL7592333 0.78 TSHR (0.58) TSHRCYP3A4MEN1KMT2ARAB9A
SCHEMBL765764 0.78 EPAS1 (0.40) TSHRALDH1A1LMNA
SCHEMBL31251153 0.76 KMT2A (0.63) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL19014651 0.75 ALDH1A1 (0.44) TSHRKMT2AALDH1A1LMNATDP1

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
US-9173869-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2015-11-03 US disclosed
US-9173869-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2015-11-03 US disclosed
US-20110077256-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO GUICHERIT OIVIN M 2011-03-31 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-20110077256-A1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS, COMPOSITIONS AND USES RELATED THERETO SHH, SMO, GLI1 TSHR 1037/4885CYP3A4 4880/4885MEN1 1518/4885

“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.