SCHEMBL3094438

SCHEMBL3094438

CCC[C@H](N)C(=O)Nc1nc(C)c(C(=O)OC)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 4/20 0.51
HPGD P15428 3/20 0.51
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
RXFP1 Q9HBX9 2/20 0.50
KDM4E B2RXH2 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 3/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PKM P14618 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL5218212 0.87 RXFP1 (0.49) POLBMEN1KMT2AALDH1A1HPGD
SCHEMBL25405454 0.79 GAA (0.72) POLBMEN1KMT2AALDH1A1HPGD
SCHEMBL3083725 0.78 POLB (0.38) POLBMEN1KMT2AALDH1A1HPGD
SCHEMBL12309834 0.74 RAB9A (0.57) POLBMEN1KMT2AALDH1A1HPGD
SCHEMBL3045369 0.73 RAB9A (0.59) POLBMEN1KMT2AALDH1A1HPGD
SCHEMBL5346367 0.73 PSEN1 (0.61) POLBMEN1KMT2AALDH1A1RAB9A
SCHEMBL28340102 0.72 ALDH1A1 (0.68) POLBMEN1KMT2AALDH1A1HPGD
SCHEMBL25302814 0.72 ALDH1A1 (0.65) MEN1KMT2AALDH1A1HPGDRAB9A
SCHEMBL25301409 0.72 ALDH1A1 (0.54) POLBMEN1KMT2AALDH1A1HPGD
SCHEMBL25252900 0.72 ALDH1A1 (0.54) POLBMEN1KMT2AALDH1A1HPGD

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-7795289-B2 Use of acylaminothiazole derivatives as therapeutic agents SANOFI-AVENTIS (FR) 2010-09-14 US disclosed
US-20080051436-A1 Use of Acylaminothiazole Derivatives as Therapeutic Agents SANOFI-AVENTIS (FR) 2008-02-28 US disclosed
US-7291636-B2 Acylaminothiazole derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2007-11-06 US disclosed
US-20050182104-A1 Acylaminothiazole derivatives, preparation and therapeutic use thereof SANOFI-SYNTHELABO (FR) 2005-08-18 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 (2 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-20080051436-A1 Use of Acylaminothiazole Derivatives as Therapeutic Agents BACE1, BACE2, ATG4A POLB 1718/4885MEN1 3225/4885KMT2A 1723/4885
US-20050182104-A1 Acylaminothiazole derivatives, preparation and therapeutic use thereof BACE1, APP, BACE2 POLB 1906/4885MEN1 2658/4885KMT2A 1866/4885

“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.