SCHEMBL3245602

SCHEMBL3245602

N#CS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.59
CA2 P00918 2/20 0.59
CA9 Q16790 1/20 0.59
F2 P00734 3/20 0.49
PRSS1 P07477 3/20 0.49
PRSS2 P07478 3/20 0.49
PRSS3 P35030 3/20 0.49
HTR6 P50406 3/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HCRTR1 O43613 1/20 0.44
TSHR P16473 2/20 0.42
AKR1B1 P15121 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SCN1A P35498 1/20 0.41

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
SCHEMBL10883679 0.81 CA1 (0.61) CA1CA2CA9F2PRSS1
SCHEMBL9639733 0.78 CA1 (0.63) CA1CA2CA9F2PRSS1
SCHEMBL9639738 0.78 CA1 (0.63) CA1CA2CA9F2PRSS1
SCHEMBL28463 0.78 CA1 (0.63) CA1CA2CA9F2PRSS1
SCHEMBL547461 0.78 CA1 (0.68) CA1CA2CA9F2PRSS1
SCHEMBL3071825 0.78 CA1 (0.68) CA1CA2CA9F2PRSS1
SCHEMBL29965319 0.78 CA1 (0.68) CA1CA2CA9F2PRSS1
SCHEMBL4079218 0.77 CA1 (0.52) CA1CA2CA9F2PRSS1
SCHEMBL30583821 0.77 CA1 (0.52) CA1CA2CA9F2PRSS1
Water SCHEMBL4291375 0.77 CA1 (0.61) CA1CA2CA9F2PRSS1

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
EP-1167366-B1 AMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2010-05-05 EP disclosed
US-6562849-B1 Amine compound or pharmacologically acceptable salt thereof. These compounds are useful in the treatment and/or prophylaxis of diseases such as diabetes, hyperlipemia, arteriosclerosis, cancer, etc. SANKYO COMPANY, LIMITED (JP) 2003-05-13 US disclosed
US-20030078426-A1 Amine derivative compounds SANKYO COMPANY, LIMITED (JP) 2003-04-24 US disclosed
US-6342606-B2 REACTING PYRIDINE ESTER DERIVATIVE WITH A REDUCING AGENT, AN ALKYLATING AGENT, AN ALKENYLATING AGENT, AN ARYLATING AGENT OR AN ARALKYLATING AGENT TO OBTAIN A PYRIDINE CARBONYL DERIVATIVE, REDUCING KURARAY CO., LTD. (JP) 2002-01-29 US disclosed
EP-1167366-A1 AMINE DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 EP disclosed
US-20010031871-A1 Method for producing pyridine derivatives KURARAY CO., LTD. (JP) 2001-10-18 US disclosed
US-6265580-B1 REACTING AMINE DERIVATIVE WITH CARBONYLATING AGENT AND NITRILE DERIVATIVE KURARAY CO., LTD. (JP) 2001-07-24 US disclosed
US-6111111-A Intermediates for producing pyridine derivatives KURARAY CO., LTD. (JP) 2000-08-29 US disclosed
EP-0911335-A2 Method for producing furopyridine derivatives and intermediate compounds KURARAY CO., LTD. (JP) 1999-04-28 EP 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 (2 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-20010031871-A1 Method for producing pyridine derivatives CYP2E1, CBR1, CBR3 CA1 662/4885CA2 537/4885CA9 816/4885
US-20030078426-A1 Amine derivative compounds H1-10, APOB, PRMT1 CA1 2629/4885CA2 1149/4885CA9 828/4885

“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.