SCHEMBL3600271

SCHEMBL3600271

COc1ccc(C2CCCCC2)cc1-c1csc(NC(=O)N2CCN(CC3CCCN(CCCC(=O)O)C3)CC2)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.40
KCNH2 Q12809 6/20 0.40
ROCK1 Q13464 1/20 0.40
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
MAPT P10636 4/20 0.38
LMNA P02545 3/20 0.38
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
ACHE P22303 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
SCHEMBL3600267 1.00 CCR2 (0.40) CCR2KCNH2ROCK1NPC1PKM
SCHEMBL3600386 0.98 CCR2 (0.40) CCR2KCNH2ROCK1NPC1PKM
SCHEMBL3600379 0.98 CCR2 (0.40) CCR2KCNH2ROCK1NPC1PKM
SCHEMBL3591850 0.96 ROCK1 (0.40) CCR2KCNH2ROCK1NPC1PKM
SCHEMBL3591841 0.96 ROCK1 (0.40) CCR2KCNH2ROCK1NPC1PKM
SCHEMBL3588561 0.92 ROCK1 (0.43) CCR2KCNH2ROCK1MAPTLMNA
SCHEMBL3588557 0.92 ROCK1 (0.43) CCR2KCNH2ROCK1MAPTLMNA
SCHEMBL3588551 0.92 ROCK1 (0.43) CCR2KCNH2ROCK1MAPTLMNA
SCHEMBL13199023 0.90 CCR2 (0.46) CCR2KCNH2ROCK1NPC1PKM
SCHEMBL13199024 0.90 CCR2 (0.46) CCR2KCNH2ROCK1NPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7825112-B2 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-02 US claimed
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 US claimed
US-7825112-B2 2-carbamide-4-phenylthiazole derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-11-02 US disclosed
US-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-01-15 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-20090018117-A1 2-CARBAMIDE-4-PHENYLTHIAZOLE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PKD2, QPCT, CCNT2 CCR2 1499/4885KCNH2 870/4885ROCK1 2648/4885

“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.