SCHEMBL4002016

SCHEMBL4002016

COC(=O)CN(C(=O)OC(C)(C)C)c1ccc(OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 3/20 0.43
TSHR P16473 2/20 0.42
HTT P42858 2/20 0.42
CYP2C19 P33261 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
BCL2A1 Q16548 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ESR2 Q92731 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL3660817 0.88 KEAP1 (0.49) TSHRBCL2A1KEAP1NFE2L2L3MBTL1
SCHEMBL1826174 0.87 MLYCD (0.44) MLYCDALDH1A1NPC1MAPTRAB9A
SCHEMBL27451463 0.87 MLYCD (0.44) MLYCDKMT2AALDH1A1RAB9AHSD17B10
SCHEMBL3503827 0.85 MLYCD (0.43) MLYCDMEN1KMT2AALDH1A1NPC1
Hydrochloric Acid SCHEMBL6216388 0.85 MLYCD (0.43) MLYCDALDH1A1RAB9APDK2
SCHEMBL6295798 0.85 MLYCD (0.48) MLYCDTSHRCYP2C19CYP3A4CYP2C9
SCHEMBL3225600 0.85 L3MBTL1 (0.39) MLYCDTSHRPOLBBCL2A1MEN1
SCHEMBL4838543 0.84 MLYCD (0.43) MLYCDPOLBMEN1KMT2ANPC1
SCHEMBL8332394 0.84 MLYCD (0.42) MLYCDTSHRALDH1A1NPC1MAPT
SCHEMBL1624928 0.84 NOTUM (0.48) MLYCDTSHRMEN1KMT2AALDH1A1

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-2067771-A1 Derivatives of Dihydroxypyrrolidine as Anti-Cancer Compounds EPFL Ecole Polytechnique Fédérale de Lausanne (CH) 2009-06-10 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
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
US-5420275-A Chemiluminescent assay, tumors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-30 US disclosed
EP-0491477-A1 Pyridopyridazine compounds and their use Takeda Chemical Industries, Ltd. (JP) 1992-06-24 EP 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 MLYCD 1894/4885TSHR 1362/4885HTT 1073/4885

“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.