SCHEMBL3454531

SCHEMBL3454531

CC(C)(C)[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)N1CCC(N2CCCS2(=O)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 10/20 0.48
F10 P00742 1/20 0.47
EPHX2 P34913 3/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.38
MAPK14 Q16539 2/20 0.38
CCR3 P51677 1/20 0.38
UTS2R Q9UKP6 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL3454535 0.90 CCR1 (0.48) CCR1F10EPHX2RAB9AALDH1A1
SCHEMBL13108480 0.84 CCR1 (0.52) CCR1F10EPHX2RAB9AALDH1A1
SCHEMBL3450101 0.80 CCR1 (0.48) CCR1F10EPHX2RAB9ACCR3
SCHEMBL3448743 0.80 CCR1 (0.48) CCR1F10EPHX2RAB9ACCR3
SCHEMBL3448904 0.80 CCR1 (0.48) CCR1F10EPHX2RAB9AALDH1A1
SCHEMBL3455074 0.79 F10 (0.40) CCR1F10
SCHEMBL3448458 0.79 CCR1 (0.47) CCR1F10EPHX2RAB9AUTS2R
SCHEMBL3447440 0.78 CCR1 (0.48) CCR1F10EPHX2RAB9AMAPK14
SCHEMBL3449981 0.78 CCR1 (0.48) CCR1EPHX2RAB9AUTS2R
SCHEMBL3451858 0.76 F10 (0.51) CCR1F10EPHX2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-7820673-B2 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
US-20070093501-A1 Urea derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-26 US disclosed
EP-1695961-A1 UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2006-08-30 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-20070093501-A1 Urea derivative, process for producing the same, and use F2, URB2, F12 CCR1 2570/4885F10 22/4885EPHX2 607/4885

“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.