SCHEMBL12793783

SCHEMBL12793783

CS(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.72
CA1 P00915 1/20 0.72
CA2 P00918 1/20 0.72
CA9 Q16790 1/20 0.72
POLB P06746 1/20 0.71
CYP2C9 P11712 2/20 0.70
CYP2C19 P33261 2/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2D6 P10635 1/20 0.70
EPHX1 P07099 10/20 0.68
RAB9A P51151 8/20 0.68
NPC1 O15118 7/20 0.68
KMT2A Q03164 2/20 0.65
EPHX2 P34913 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 1/20 0.64
MEN1 O00255 1/20 0.64
GAA P10253 1/20 0.64
TP53 P04637 1/20 0.63
NFKB1 P19838 1/20 0.63

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
SCHEMBL13756244 0.86 EPHX1 (0.86) CYP2C9CYP2C19EPHX1RAB9ANPC1
SCHEMBL22470431 0.86 EPHX1 (0.57) CA12CA1CA2CA9POLB
SCHEMBL11594697 0.85 CA12 (0.72) CA12CA1CA2CA9POLB
SCHEMBL11594698 0.85 CA12 (0.72) CA12CA1CA2CA9POLB
SCHEMBL13756248 0.84 EPHX1 (0.83) CA12CA1CA2CA9CYP2C9
SCHEMBL672714 0.84 CA12 (1.00) CA12CA1CA2CA9POLB
SCHEMBL28193805 0.83 CA12 (0.58) CA12CA1CA2CA9POLB
SCHEMBL28565718 0.83 CA12 (0.58) CA12CA1CA2CA9POLB
SCHEMBL4010742 0.82 EPHX2 (0.66) CA12CA1CA2CA9POLB
SCHEMBL813709 0.81 EPHX1 (1.00) POLBCYP2C9CYP2C19EPHX1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722742-B2 Chemical compounds having antiviral activity against Dengue virus and other Flaviviruses CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CU) 2014-05-13 US disclosed
US-20110065686-A1 CHEMICAL COMPOUNDS HAVING ANTIVIRAL ACTIVITY AGAINST DENGUE VIRUS AND OTHER FLAVIVIRUSES CENTRO DE INGENIERIA GENETICA Y BIOTECNOLOGIA (CU) 2011-03-17 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 (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-20110065686-A1 CHEMICAL COMPOUNDS HAVING ANTIVIRAL ACTIVITY AGAINST DENGUE VIRUS AND OTHER FLAVIVIRUSES MAVS, EIF2AK2, ZC3HAV1 CA12 4678/4885CA1 4834/4885CA2 4502/4885

“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.