SCHEMBL13552170

SCHEMBL13552170

Cc1cc(C(=O)N2CCC(N)C2)ccc1CCS(=O)(=O)N1CCC2(CC1)N=C(c1cccc(C(F)(F)F)c1)NC2=O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 11/20 0.44
KDM1A O60341 1/20 0.37
KCNH2 Q12809 1/20 0.37
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
LMNA P02545 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
Hydrochloric Acid SCHEMBL847605 0.99 PTH1R (0.44) PTH1RKDM1AKCNH2ABL1BCR
SCHEMBL849587 0.95 PTH1R (0.45) PTH1RABL1BCRLMNA
SCHEMBL849980 0.93 PTH1R (0.45) PTH1RABL1BCRLMNA
SCHEMBL848838 0.93 PTH1R (0.45) PTH1RABL1BCRLMNA
SCHEMBL848839 0.93 PTH1R (0.45) PTH1RABL1BCRLMNA
SCHEMBL848804 0.92 PTH1R (0.45) PTH1RABL1BCRLMNA
SCHEMBL848271 0.91 PTH1R (0.44) PTH1RABL1BCRLMNA
SCHEMBL848270 0.91 PTH1R (0.44) PTH1RABL1BCRLMNA
SCHEMBL849277 0.91 PTH1R (0.45) PTH1RABL1BCRLMNA
SCHEMBL848704 0.90 PTH1R (0.45) PTH1RABL1BCRLMNA

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-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-9487517-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-11-08 US disclosed
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2016-01-21 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-9169254-B2 Spiroimidazolone derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-10-27 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 US disclosed
US-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-10-25 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-20120270838-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PTH1R 1869/4885KDM1A 3476/4885KCNH2 234/4885
US-20160016956-A1 SPIROIMIDAZOLONE DERIVATIVE WNK3, REN, SGK3 PTH1R 1869/4885KDM1A 3476/4885KCNH2 234/4885

“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.