SCHEMBL6930491

SCHEMBL6930491

CC(C)(C)OC(=O)CN(C(=O)[C@@H](N)CC(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
GSTO1 P78417 1/20 0.39
SLC7A5 Q01650 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
MLYCD O95822 2/20 0.34
CASR P41180 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
SCHEMBL8957381 0.94 MEN1 (0.40) SMN1; SMN2MEN1CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8627165 0.92 MEN1 (0.39) SMN1; SMN2MEN1CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL8625168 0.89 MLYCD (0.40) SMN1; SMN2MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL6296583 0.88 SMN1; SMN2 (0.40) SMN1; SMN2MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL5966898 0.86 SMN1; SMN2 (0.40) SMN1; SMN2MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL5966823 0.85 SMN1; SMN2 (0.42) SMN1; SMN2MEN1CYP3A4CYP2C9CYP2C19
SCHEMBL1822076 0.85 MLYCD (0.44) SMN1; SMN2MEN1KMT2ASLC7A5ALDH1A1
Hydrochloric Acid SCHEMBL11694104 0.84 MLYCD (0.43) SMN1; SMN2MEN1KMT2ASLC7A5ALDH1A1
SCHEMBL1562840 0.82 ACE (0.41) ALDH1A1GLATSHRMLYCD
SCHEMBL27459998 0.82 ACE (0.41) ALDH1A1GLATSHRMLYCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918059-B1 Substituted imidazoline derivatives, their preparation, their use, and pharmaceutical compositions containing them AVENTIS PHARMA GMBH (DE) 2003-06-25 EP disclosed
US-6521654-B2 For therapy and prophylaxis of rheumatoid arthritis, or of allergic disorders, asthma, inflammation; inhibitors of the adhesion and migration of leucocytes and/or antagonists of adhesion receptor VLA-4 belonging to the integrins group AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-02-18 US disclosed
US-20020143043-A1 Substituted imidazolidine derivatives, their preparation, their use and pharmaceutical preparations including them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2002-10-03 US disclosed
US-6331552-B1 THERAPY AND PROPHYLAXIS OF INFLAMMATORY DISORDERS, FOR EXAMPLE OF RHEUMATOID ARTHRITIS, OR OF ALLERGIC DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-12-18 US disclosed
EP-0918059-A1 Substituted imidazoline derivatives, their preparation, their use, and pharmaceutical compositions containing them Hoechst Marion Roussel Deutschland GmbH (DE) 1999-05-26 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-20020143043-A1 Substituted imidazolidine derivatives, their preparation, their use and pharmaceutical preparations including them VCAM1, ITGA1, ITGA4 SMN1; SMN2 3303/4885MEN1 4417/4885CYP3A4 678/4885

“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.