SCHEMBL3595193

SCHEMBL3595193

CC(C)NC(=O)N1CCCC(N2CCN(C(=O)O)CC2)C1.COc1ccc(C2CCCCC2)cc1-c1csc(C(N)=O)n1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.45
SHMT2 P34897 2/20 0.42
POLB P06746 1/20 0.35
CPT1A P50416 1/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL3598527 0.79 PDE4B (0.42) PDE4BCPT1AKMT2AALDH1A1KDM4E
SCHEMBL3580803 0.79 PDE4B (0.42) PDE4BCPT1AKMT2AALDH1A1KDM4E
SCHEMBL13198801 0.78 SHMT2 (0.43) PDE4BSHMT2POLBKMT2AALDH1A1
SCHEMBL3587243 0.77 KMT2A (0.44) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL2953761 0.73 KMT2A (0.37) PDE4BSHMT2KMT2AALDH1A1KDM4E
SCHEMBL4501356 0.72 POLB (0.49) POLBKMT2AALDH1A1KDM4EMEN1
SCHEMBL4501351 0.72 POLB (0.49) POLBKMT2AALDH1A1KDM4EMEN1
SCHEMBL4501347 0.72 POLB (0.49) POLBKMT2AALDH1A1KDM4EMEN1
SCHEMBL3585634 0.72 ROCK1 (0.42) KMT2AALDH1A1KDM4EMEN1HPGD
SCHEMBL3585639 0.72 ROCK1 (0.42) KMT2AALDH1A1KDM4EMEN1HPGD

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 PDE4B 267/4885SHMT2 1580/4885POLB 4267/4885

“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.