SCHEMBL5435083

SCHEMBL5435083

COc1cc(Cl)ccc1CN1C(=O)C(C)(c2cc(C(=O)O)ccc2Cl)c2cc(Cl)ccc21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.59
AVPR1A P37288 2/20 0.59
CPT1A P50416 7/20 0.49
CPT1B Q92523 7/20 0.49
PTGDR2 Q9Y5Y4 7/20 0.49
CPT2 P23786 4/20 0.49
TP53 P04637 2/20 0.42
TTR P02766 1/20 0.40
AKR1B1 P15121 1/20 0.40
KDM5A P29375 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
KDM5B Q9UGL1 1/20 0.40
MAPT P10636 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
SCHEMBL5820190 0.95 OXTR (0.66) OXTRAVPR1ACPT1ACPT1BPTGDR2
SCHEMBL5820186 0.95 OXTR (0.66) OXTRAVPR1ACPT1ACPT1BPTGDR2
SCHEMBL3876738 0.95 OXTR (0.66) OXTRAVPR1ACPT1ACPT1BPTGDR2
SCHEMBL5438766 0.92 OXTR (0.58) OXTRAVPR1ACPT1ACPT1BPTGDR2
SCHEMBL6584840 0.89 OXTR (0.48) OXTRAVPR1ACPT1ACPT1BPTGDR2
SCHEMBL6582219 0.89 PTGDR2 (0.49) OXTRAVPR1ACPT1ACPT1BPTGDR2
SCHEMBL5431091 0.87 OXTR (0.55) OXTRAVPR1ACPT1ACPT1BPTGDR2
SCHEMBL5434126 0.87 OXTR (0.65) OXTRAVPR1ACPT1ACPT1BPTGDR2
SCHEMBL5819517 0.87 OXTR (0.65) OXTRAVPR1ACPT1ACPT1BPTGDR2
SCHEMBL5424527 0.86 OXTR (0.57) OXTRAVPR1ACPT1ACPT1BPTGDR2

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-20070203184-A1 Novel Indolin-2-one Derivatives, Their Preparation and the Pharmaceutical Compositions Comprising Them SANOFI-AVENTIS (FR) 2007-08-30 US disclosed
EP-1272468-B1 INDOLIN-2-ONE DERIVATIVES, PREPARATION AND THEIR USE AS OCYTOCIN RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2004-11-17 EP disclosed
US-20040059132-A1 Novel indolin-2-one derivatives, their preparation and the pharmaceutical compositions comprising them SANOFI-AVENTIS (FR) 2004-03-25 US disclosed
US-6673790-B1 ANTAGONIST OF OXYTOCIN RECEPTORS USED IN COMBINATION WITH ANTAGONIST OF VASOPRESSIN V1A RECEPTORS FOR TREATMENT OF DYSMENORRHEA OR ENDOMETRIOSIS OR CONTROL OF PREMATURE LABOR AND FOR CONTROLLING PREPARATORY LABOR FOR CAESAREAN DELIVERY SANOFI-SYNTHELABO (FR) 2004-01-06 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-20040059132-A1 Novel indolin-2-one derivatives, their preparation and the pharmaceutical compositions comprising them OXTR, AVPR2, AVPR1B OXTR 1/4885AVPR1A 5/4885CPT1A 1008/4885
US-20070203184-A1 Novel Indolin-2-one Derivatives, Their Preparation and the Pharmaceutical Compositions Comprising Them OXTR, AVPR2, AVPR1B OXTR 1/4885AVPR1A 6/4885CPT1A 1171/4885

“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.