SCHEMBL4894531

SCHEMBL4894531

Nc1cc(S(=O)(=O)N2CCCC2)ccc1O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.63
ALDH1A1 P00352 3/20 0.61
HSD17B10 Q99714 1/20 0.61
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
USP2 O75604 1/20 0.56
PKLR P30613 1/20 0.56
KDM4E B2RXH2 2/20 0.56
HTT P42858 2/20 0.55
SERPINE1 P05121 1/20 0.54
POLB P06746 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
MCOLN3 Q8TDD5 2/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL11668435 0.98 RAB9A (0.66) RAB9AALDH1A1HSD17B10GAAMAPT
SCHEMBL4469033 0.83 SERPINE1 (0.72) RAB9AALDH1A1HSD17B10GAAMAPT
SCHEMBL9796209 0.79 ALDH1A1 (0.67) RAB9AALDH1A1USP2KDM4EHTT
SCHEMBL10126570 0.79 RAB9A (0.66) RAB9AALDH1A1GAAMAPTUSP2
SCHEMBL20526493 0.78 KDM4E (0.63) RAB9AALDH1A1CA12CA1CA2
SCHEMBL1546612 0.78 POLB (0.76) ALDH1A1HSD17B10MAPTKDM4EPOLB
SCHEMBL13286817 0.77 PKLR (0.73) RAB9AALDH1A1GAAMAPTUSP2
SCHEMBL14419475 0.77 ALDH1A1 (0.66) RAB9AALDH1A1USP2KDM4EHTT
SCHEMBL9616947 0.77 ALDH1A1 (0.69) RAB9AALDH1A1MAPTUSP2KDM4E
SCHEMBL6118778 0.76 GPBAR1 (0.68) RAB9AALDH1A1KDM4EHTTSMN1; SMN2

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
US-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds JAPAN TOBACCO INC. (JP) 2008-12-11 US disclosed
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds JAPAN TOBACCO INC. (JP) 2008-03-13 US disclosed
EP-1820515-A1 NITROGEN-CONTAINING FUSED RING COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2007-08-22 EP disclosed
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof JAPAN TOBACCO INC. (JP) 2007-01-11 US 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 (3 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-20080305169-A1 Pharmaceutical Compositions Comprising Nitrogen-Containing Fused Ring Coumpounds NOD1, NLRP3, SLC10A1 RAB9A 3804/4885ALDH1A1 1306/4885HSD17B10 313/4885
US-20070010670-A1 Nitrogen-containing fused ring compounds and use thereof NUDT1, NOD1, SLC28A1 RAB9A 3487/4885ALDH1A1 605/4885HSD17B10 633/4885
US-20080064871-A1 Production Method of Nitrogen-Containing Fused Ring Compounds NOD1, XDH, URB2 RAB9A 3325/4885ALDH1A1 1553/4885HSD17B10 516/4885

“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.