SCHEMBL12697339

SCHEMBL12697339

Cc1cccc2c(Nc3cccc(C(F)(F)F)c3)ncc(S(=O)(=O)N3CCCCC3)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
LMNA P02545 4/20 0.51
CYP11B2 P19099 2/20 0.47
IDH1 O75874 1/20 0.47
AR P10275 1/20 0.45
TP53 P04637 3/20 0.45
EGFR P00533 3/20 0.44
EPHX2 P34913 1/20 0.44
KDR P35968 1/20 0.43
CNR2 P34972 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
THRB P10828 1/20 0.42
HTT P42858 1/20 0.42
CYP11B1 P15538 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
SCHEMBL14554519 0.91 MAPT (0.62) MAPTLMNACYP11B2IDH1AR
SCHEMBL12476629 0.86 MAPT (0.43) MAPTLMNATP53CNR2TSHR
SCHEMBL12477285 0.86 MAPT (0.60) MAPTLMNATP53CNR2MEN1
SCHEMBL12697466 0.84 CYP11B1 (0.48) MAPTCYP11B2TP53THRBHTT
SCHEMBL12476388 0.80 CNR2 (0.61) MAPTLMNAEGFRKDRCNR2
SCHEMBL14554526 0.79 EGFR (0.53) MAPTLMNATP53EGFRKDR
SCHEMBL12476569 0.78 MAPT (0.46) MAPTTP53CNR2TSHRMEN1
SCHEMBL12477010 0.78 CNR2 (0.49) MAPTLMNACYP11B2TP53CNR2
SCHEMBL12477397 0.77 MAPT (0.61) MAPTLMNATP53CNR2
SCHEMBL12476943 0.74 CNR2 (0.53) MAPTLMNATP53EGFRCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130178457-A1 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-07-11 US claimed
US-9006442-B2 Cannabinoid receptor modulators LUPIN LIMITED (IN) 2015-04-14 US disclosed
US-9006442-B2 Cannabinoid receptor modulators LUPIN LIMITED (IN) 2015-04-14 US disclosed
US-9006442-B2 Cannabinoid receptor modulators LUPIN LIMITED (IN) 2015-04-14 US disclosed
US-20130178457-A1 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-07-11 US disclosed
US-20130178457-A1 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-07-11 US disclosed
US-20130178457-A1 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-07-11 US disclosed
WO-2013005168-A2 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2013-01-10 WO disclosed
WO-2012090177-A2 CANNABINOID RECEPTOR MODULATORS LUPIN LIMITED (IN) 2012-07-05 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-20130178457-A1 CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, GPR18 MAPT 2605/4885LMNA 2531/4885CYP11B2 360/4885

“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.