SCHEMBL15420642

SCHEMBL15420642

N#Cc1cnc(-c2ccc(O)cc2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.47
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
GRM5 P41594 1/20 0.38
USP7 Q93009 4/20 0.38
ADORA1 P30542 2/20 0.38
ADORA2A P29274 1/20 0.38
KDM1A O60341 1/20 0.38
CYP19A1 P11511 1/20 0.37
F9 P00740 1/20 0.37
LRRK2 Q5S007 2/20 0.36
AR P10275 1/20 0.36
DEGS1 O15121 1/20 0.36
RPS6KA3 P51812 1/20 0.36

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
SCHEMBL15419971 0.84 AR (0.47) CYP11B1CYP11B2LRRK2AR
SCHEMBL27452007 0.83 CYP11B1 (0.42) CYP11B1CYP11B2GRM5ADORA1ADORA2A
SCHEMBL15420633 0.80 HPGDS (0.51) CYP11B1CYP11B2GRM5ADORA1ADORA2A
SCHEMBL12987576 0.78 GABRG2 (0.44) RPS6KA3
SCHEMBL15420405 0.75 ALDH1A1 (0.49) KDM1A
SCHEMBL12986756 0.75 MAPK1 (0.42) USP7ADORA2ARPS6KA3
SCHEMBL2433773 0.72 MEN1 (0.61) MMP3CA12CA2CA3CA6
SCHEMBL28165919 0.71 MMP3 (0.57) MMP3CA12CA2CA3CA6
SCHEMBL28663535 0.70 PDE10A (0.43) ADORA1RPS6KA3
SCHEMBL12988487 0.70 FYN (0.47) CYP11B2USP7RPS6KA3

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
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 EP disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 US disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 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-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 MMP3 4325/4885CA12 3894/4885CA2 2995/4885

“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.