SCHEMBL3585639

SCHEMBL3585639

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.42
CCR2 P41597 5/20 0.41
CCR3 P51677 2/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KCNH2 Q12809 3/20 0.38
CNR2 P34972 1/20 0.38
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 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
SCHEMBL3585634 1.00 ROCK1 (0.42) ROCK1CCR2CCR3MAPTLMNA
SCHEMBL13198990 0.93 CCR2 (0.46) ROCK1CCR2MAPTLMNAHTT
SCHEMBL13199024 0.93 CCR2 (0.46) ROCK1CCR2MAPTLMNAHTT
SCHEMBL13199023 0.93 CCR2 (0.46) ROCK1CCR2MAPTLMNAHTT
SCHEMBL13199013 0.92 CCR2 (0.47) ROCK1CCR2MAPTLMNAHTT
SCHEMBL13199025 0.92 CCR2 (0.47) ROCK1CCR2MAPTLMNAHTT
SCHEMBL3588551 0.91 ROCK1 (0.43) ROCK1CCR2MAPTLMNAHTT
SCHEMBL3588561 0.91 ROCK1 (0.43) ROCK1CCR2MAPTLMNAHTT
SCHEMBL3588557 0.91 ROCK1 (0.43) ROCK1CCR2MAPTLMNAHTT
SCHEMBL3591850 0.90 ROCK1 (0.40) ROCK1CCR2MAPTLMNAHTT

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 2 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 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 ROCK1 2648/4885CCR2 1499/4885CCR3 2483/4885

“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.