SCHEMBL702691

SCHEMBL702691

O=C(O)CNc1ccccc1S(=O)(=O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.57
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
MMP12 P39900 5/20 0.45
MMP1 P03956 4/20 0.45
MMP2 P08253 4/20 0.45
MMP13 P45452 4/20 0.45
MMP14 P50281 4/20 0.45
MMP3 P08254 3/20 0.45
MMP9 P14780 3/20 0.45
MMP8 P22894 3/20 0.45
MMP16 P51512 3/20 0.45
CDC25A P30304 1/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 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
SCHEMBL699183 0.90 HTR6 (0.50) HTR6MMP12MMP1MMP2MMP13
SCHEMBL6611408 0.86 KMT2A (0.51) HTR6CA1CA2MMP1MMP2
SCHEMBL5286168 0.84 HTR6 (0.55) HTR6CA1CA2MMP12MMP1
SCHEMBL7298774 0.83 CA1 (0.48) CA1CA2MMP12MMP1CDC25A
SCHEMBL6669464 0.83 ITGAV (0.48) HTR6CA1CA2CDC25ACA12
SCHEMBL697565 0.81 ADRA1A (0.49) CA1CA2MMP12MMP1CDC25A
SCHEMBL28112131 0.81 CA1 (0.66) CA1CA2CA12CA9
SCHEMBL5281915 0.78 HTR6 (0.48) HTR6CA1CA2MMP12MMP1
SCHEMBL5692314 0.78 PARP1 (0.51) CA1CA2MMP12MMP1CDC25A
SCHEMBL31234444 0.78 ALDH1A1 (0.49) CA1CA2CA12CA9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1457487-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE CIS-PIPERIDINE DERIVATIVES Toray Fine Chemicals Co., Ltd. (JP) 2004-09-15 EP claimed
US-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TORAY FINE CHEMICALS CO., LTD., A CORPORATION OF JAPAN, (JP) 2004-09-02 US claimed
EP-2423211-B1 PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF KANEKA CORP (JP) 2014-04-16 EP disclosed
EP-2423211-A1 PROCESSES FOR PRODUCING (1S,6S)- OR (1R,6R)-CIS-2,8-DIAZABICYCLO[4.3.0]NONANE AND INTERMEDIATE THEREOF Kaneka Corporation (JP) 2012-02-29 EP disclosed
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 US disclosed
EP-1457487-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE CIS-PIPERIDINE DERIVATIVES Toray Fine Chemicals Co., Ltd. (JP) 2004-09-15 EP disclosed
US-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TORAY FINE CHEMICALS CO., LTD., A CORPORATION OF JAPAN, (JP) 2004-09-02 US disclosed
US-4971993-A HYPOTENSIVE DIPEPTIDES DERIVATIVES AJINOMOTO CO., INC. (JP) 1990-11-20 US disclosed
EP-0190852-A2 Dipeptide derivatives and antihypertensive drugs containing them AJINOMOTO CO., INC. (JP) 1986-08-13 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-20040171836-A1 Method for producing optical-active cis-piperidine derivatives TYR, DDC, TARBP1 HTR6 581/4885CA1 2106/4885CA2 2307/4885
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 HTR6 3695/4885CA1 3211/4885CA2 2359/4885

“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.