SCHEMBL10278599

SCHEMBL10278599

Cc1ccc2c(c1)Nc1ccc(C)cc1S2(=O)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA12 O43570 2/20 0.53
CA4 P22748 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.48
NOX1 Q9Y5S8 1/20 0.48
MAOA P21397 2/20 0.44
PTPN7 P35236 1/20 0.41
CSNK1G1 Q9HCP0 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL15500319 0.87 KMT2A (0.68) CA1CA2CA12CA4CA7
SCHEMBL14985674 0.86 CA12 (0.44) CA1CA2CA12CA4CA7
SCHEMBL2756505 0.86 KMT2A (0.41) CA1CA2CA12CA4CA7
SCHEMBL2705519 0.74 KMT2A (0.45) CA1CA2CA12CA4CA7
SCHEMBL25666666 0.73 LRRK2 (0.50) CA1CA2CA12CA4CA7
SCHEMBL14136022 0.71 KMT2A (0.53) CA1CA2CA12CA4CA7
SCHEMBL7931108 0.70 CSNK1G1 (0.59) CA1CA2CA12CA4CA7
SCHEMBL7934625 0.70 CSNK1G1 (0.59) CA1CA2CA12CA4CA7
SCHEMBL31351353 0.70 CSNK1G1 (0.59) CA1CA2CA12CA4CA7
SCHEMBL11687569 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
US-20100310512-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2010-12-09 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 (4 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CA1 4745/4885CA2 4564/4885CA12 4309/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CA1 4745/4885CA2 4564/4885CA12 4309/4885
US-20100310512-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CA1 4745/4885CA2 4564/4885CA12 4309/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CA1 4745/4885CA2 4564/4885CA12 4309/4885

“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.