SCHEMBL3454535

SCHEMBL3454535

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 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 11/20 0.48
EPHX2 P34913 4/20 0.40
RAB9A P51151 2/20 0.40
F10 P00742 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
KCNH2 Q12809 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EPHX1 P07099 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL3454531 0.90 CCR1 (0.48) CCR1EPHX2RAB9AF10UTS2R
SCHEMBL13108480 0.84 CCR1 (0.52) CCR1EPHX2RAB9AF10KCNH2
SCHEMBL3448458 0.81 CCR1 (0.47) CCR1EPHX2RAB9AF10UTS2R
SCHEMBL3449981 0.80 CCR1 (0.48) CCR1EPHX2RAB9AUTS2RTRPV1
SCHEMBL3450101 0.80 CCR1 (0.48) CCR1EPHX2RAB9AF10UTS2R
SCHEMBL3448743 0.80 CCR1 (0.48) CCR1EPHX2RAB9AF10
SCHEMBL3448904 0.80 CCR1 (0.48) CCR1EPHX2RAB9AF10TRPV1
SCHEMBL3455079 0.79 CCR1 (0.39) CCR1F10CYP2C19
SCHEMBL3447440 0.78 CCR1 (0.48) CCR1EPHX2RAB9AF10UTS2R
SCHEMBL3451858 0.76 F10 (0.51) CCR1EPHX2RAB9AF10SMN1; SMN2

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-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
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 2570/4885EPHX2 607/4885RAB9A 3460/4885

“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.