SCHEMBL10316682

SCHEMBL10316682

NC(Cc1ccc(-n2cccn2)cc1)(c1cccc(NC(CC(F)(F)F)C(=O)O)n1)S(=O)(=O)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 7/20 0.47
PTGER4 P35408 1/20 0.47
NAMPT P43490 6/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA5A P35218 1/20 0.36
CA9 Q16790 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
RORC P51449 3/20 0.34
LMNA P02545 1/20 0.33
KLKB1 P03952 1/20 0.33
KLK1 P06870 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
SCHEMBL533544 0.91 PTGER2 (0.48) PTGER2PTGER4NAMPTCA12CA1
SCHEMBL11026027 0.86 PTGER2 (0.49) PTGER2PTGER4NAMPTCA12CA1
SCHEMBL533244 0.84 PTGER2 (0.65) PTGER2PTGER4
Hydrochloric Acid SCHEMBL533631 0.84 PTGER2 (0.65) PTGER2PTGER4
SCHEMBL533444 0.83 PTGER2 (0.52) PTGER2PTGER4NAMPTCA12CA1
SCHEMBL10316685 0.82 PTGER2 (0.46) PTGER2PTGER4NAMPTMEN1MAPT
SCHEMBL10316684 0.81 PTGER2 (0.72) PTGER2PTGER4
SCHEMBL15412004 0.81 PTGER2 (0.48) PTGER2PTGER4NAMPTCA12CA1
SCHEMBL533071 0.80 PTGER2 (0.47) PTGER2PTGER4NAMPTCA12CA1
SCHEMBL28716177 0.79 PTGER2 (0.49) PTGER2PTGER4NAMPTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-09-06 US claimed
US-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-09-06 US disclosed
EP-2476678-A1 SUBSTITUTED CARBONYL COMPOUNDS Ube Industries, Ltd. (JP) 2012-07-18 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 (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-20120226036-A1 SUBSTITUTED CARBONYL COMPOUND PTGER2, PTGER1, LTB4R2 PTGER2 1/4885PTGER4 10/4885NAMPT 3468/4885

“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.