SCHEMBL3369760

SCHEMBL3369760

CC(COc1ccc(S(C)(=O)=O)cc1)=NNc1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 1/20 0.45
MAPT P10636 3/20 0.43
THRB P10828 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
AR P10275 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ESR1 P03372 1/20 0.41
ALOX12 P18054 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1B Q00975 1/20 0.41
KDM1A O60341 1/20 0.41
PTGS2 P35354 1/20 0.40
KMT2A Q03164 2/20 0.40
IDO1 P14902 1/20 0.40
GAA P10253 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
SCHEMBL3369758 1.00 SMN1; SMN2 (0.47) SMN1; SMN2HTTMAPTTHRBCYP11B1
SCHEMBL3372784 0.80 KIF11 (0.43) SMN1; SMN2HTTMAPTTHRBAR
SCHEMBL3372788 0.80 KIF11 (0.43) SMN1; SMN2HTTMAPTTHRBAR
SCHEMBL23928537 0.79 MAPT (0.67) SMN1; SMN2HTTMAPTTHRBPTGS2
SCHEMBL3370973 0.71 ALDH1A1 (0.53) SMN1; SMN2HTTMAPTCYP2C9CYP2C19
SCHEMBL10951291 0.71 PTGS2 (0.57) SMN1; SMN2HTTMAPTCYP11B1CYP11B2
SCHEMBL5458774 0.71 PTGS2 (0.57) CYP11B1CYP11B2KDM1APTGS2IDO1
SCHEMBL803901 0.71 PTGS2 (0.68) CYP11B1CYP11B2CYP2C9CYP2C19KDM1A
SCHEMBL6006314 0.71 CYP11B1 (0.42) SMN1; SMN2HTTCYP11B1CYP11B2AR
SCHEMBL3372818 0.70 MAPT (0.62) MAPTCYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1656347-B1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2010-10-13 EP disclosed
US-7709521-B2 Substituted indole derivatives for pharmaceutical compositions for treating respiratory diseases ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20060264444-A1 Substituted indole derivatives for pharmaceutical compositions for treating respiratory diseases ASTRAZENECA AB (SE) 2006-11-23 US disclosed
EP-1656347-A1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES Astrazeneca AB (SE) 2006-05-17 EP disclosed
WO-2005019171-A1 SUBSTITUTED INDOLE DERIVATIVES FOR PHARMACEUTICAL COMPOSITION FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2005-03-03 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-20060264444-A1 Substituted indole derivatives for pharmaceutical compositions for treating respiratory diseases IDO1, IDO2, TPH1 SMN1; SMN2 3942/4885HTT 1484/4885MAPT 1916/4885

“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.