SCHEMBL12697331

SCHEMBL12697331

Cc1cccc2c(Cl)ncc(S(=O)(=O)N3CCOCC3)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.48
ALDH1A1 P00352 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 1/20 0.45
NPC1 O15118 1/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 2/20 0.44
ATM Q13315 1/20 0.44
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.43
CNR1 P21554 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
SCHEMBL12697442 0.88 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2LMNAKDM4EGAA
SCHEMBL12477397 0.81 MAPT (0.61) LMNAGAAMAPK1MAPTCNR1
SCHEMBL12477063 0.76 MAPT (0.42) L3MBTL1ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL12476252 0.75 CA2 (0.38) LMNAMAPK1HTT
SCHEMBL14554519 0.74 MAPT (0.62) LMNAHPGDKDM4EMAPK1MAPT
SCHEMBL15116254 0.74 L3MBTL1 (0.61) L3MBTL1ALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL12697384 0.74 PLAUR (0.53) ALDH1A1LMNAHPGDKDM4EHSD17B10
SCHEMBL12697404 0.73 CYP2A13 (0.52) L3MBTL1ALDH1A1LMNANPC1HPGD
SCHEMBL855566 0.73 TSHR (0.47) L3MBTL1ALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL854130 0.72 L3MBTL1 (0.66) L3MBTL1ALDH1A1KDM4EGAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 L3MBTL1 4834/4885ALDH1A1 1861/4885SMN1; SMN2 1740/4885

“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.