SCHEMBL2932625

SCHEMBL2932625

COc1cccc(CS(=O)(=O)O)c1.[Na]

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.51
IDO1 P14902 2/20 0.51
AGXT P21549 2/20 0.51
CMA1 P23946 1/20 0.51
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
TAS2R14 Q9NYV8 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CTBP2 P56545 1/20 0.49
MMP13 P45452 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL15876075 0.98 TAAR1 (0.53) TAAR1IDO1AGXTCMA1CYP1A2
SCHEMBL2932622 0.96 TAAR1 (0.51) TAAR1IDO1AGXTCMA1CYP1A2
SCHEMBL2718014 0.85 TAAR1 (0.55) TAAR1IDO1AGXTCMA1CYP1A2
SCHEMBL6011474 0.84 TAAR1 (0.53) TAAR1IDO1AGXTCMA1CYP1A2
SCHEMBL28142535 0.84 TAAR1 (0.53) TAAR1IDO1AGXTCMA1CYP1A2
SCHEMBL15895227 0.83 TAAR1 (0.57) TAAR1CHRM2CHRM1CHRM3
SCHEMBL9421746 0.82 FAAH (0.52) TAAR1IDO1AGXTCMA1CYP1A2
SCHEMBL3588710 0.82 TAAR1 (0.56) TAAR1IDO1AGXTCMA1ALDH1A1
SCHEMBL18602238 0.82 TAAR1 (0.51) TAAR1IDO1AGXTCMA1CYP1A2
SCHEMBL2934451 0.82 TAAR1 (0.51) TAAR1IDO1AGXTCMA1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD TAAR1 1451/4885IDO1 1139/4885AGXT 1333/4885

“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.