SCHEMBL6257491

SCHEMBL6257491

CC(C)(C)OC(=O)N(c1ccccc1)C(O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MLYCD O95822 1/20 0.36
SLC7A5 Q01650 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRD4 O60885 1/20 0.36
PRSS1 P07477 1/20 0.35
CTSG P08311 1/20 0.35

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
SCHEMBL6257488 1.00 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1TP53LMNATSHR
SCHEMBL9407522 0.85 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TP53LMNATSHR
SCHEMBL9382586 0.84 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TP53LMNATSHR
SCHEMBL642839 0.84 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1TP53LMNATSHR
SCHEMBL8724217 0.81 NR1H2 (0.39) SMN1; SMN2ALDH1A1TP53LMNATSHR
SCHEMBL27751076 0.80 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1TP53LMNATSHR
SCHEMBL31324787 0.79 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1TP53LMNATSHR
SCHEMBL8539792 0.78 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1TP53LMNATSHR
SCHEMBL3288030 0.78 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1TP53LMNATSHR
SCHEMBL1134230 0.78 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1TP53LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1299103-B1 4,5-DIHYDRO-THIAZO-2-YLAMINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA SA (FR) 2005-09-28 EP disclosed
CN-1441673-A 4,5-dihydro-thiazo-2-ylamine derivatives and their use as NO-synthase inhibitors AVENTIS PHARMA SA (FR) 2003-09-10 CN disclosed
EP-1299103-A1 4,5-DIHYDRO-THIAZO-2-YLAMINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS Aventis Pharma S.A. (FR) 2003-04-09 EP disclosed
US-6420566-B2 NITRIC OXIDE SYNTHASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2002-07-16 US disclosed
US-20020019427-A1 Pharmaceutical compositions containing a 4, 5-dihydro-1, 3-thiazol-2-ylamine derivative, novel derivatives and preparation thereof AVENTIS PHARMA S.A. (FR) 2002-02-14 US disclosed
WO-2001093867-A1 4,5-DIHYDRO-THIAZO-2-YLAMINE DERIVATIVES AND THEIR USE AS NO-SYNTHASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2001-12-13 WO 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-20020019427-A1 Pharmaceutical compositions containing a 4, 5-dihydro-1, 3-thiazol-2-ylamine derivative, novel derivatives and preparation thereof ALK, QDPR, CYP3A7 SMN1; SMN2 2312/4885ALDH1A1 22/4885TP53 4023/4885

“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.