Sugi Predict

Sugi Predict / Compounds / SCHEMBL3246946

SCHEMBL3246946

SCHEMBL3246946

COc1c(Cl)cc(-c2nnc(S(C)(=O)=O)s2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 13/20 0.43
▸ PTGS1 P23219 5/20 0.36
▸ CA1 P00915 3/20 0.35
▸ CA2 P00918 3/20 0.35
▸ CA5A P35218 3/20 0.35
▸ CA5B Q9Y2D0 3/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA3 P07451 1/20 0.35
▸ CA6 P23280 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ ALOX15 P16050 1/20 0.34
▸ CA4 P22748 2/20 0.33
▸ GUSB P08236 1/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL9681615 0.73 KDM4E (0.51) PTGS2CA1CA2CA5ACA5B
SCHEMBL3239610 0.73 PTGS1 (0.65) PTGS2PTGS1ALOX15GUSBKDM4E
SCHEMBL17481700 0.71 ALDH1A1 (0.53) PTGS2CA1CA2CA5ACA5B
SCHEMBL7905128 0.69 CA1 (0.51) PTGS2CA1CA2CA5ACA5B
SCHEMBL9179051 0.69 PTGS1 (0.59) PTGS2PTGS1CA1CA2
SCHEMBL12325399 0.67 ALDH1A1 (0.47) PTGS2PTGS1HSD17B1HSD17B2KDM4E
SCHEMBL9872420 0.64 CA2 (0.56) CA1CA2CA5ACA5BCA12
SCHEMBL9508988 0.64 CA1 (0.47) CA1CA2CA5ACA5BCA12
SCHEMBL967843 0.63 POLB (0.42) ALOX15GUSBKDM4EALDH1A1GAA
SCHEMBL1594972 0.62 THRB (0.38) PTGS2CA1CA2CA5ACA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 — — 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 (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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 PTGS2 1408/4885PTGS1 967/4885CA1 3394/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 PTGS2 1408/4885PTGS1 967/4885CA1 3394/4885

“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.