SCHEMBL3234028

SCHEMBL3234028

CC(C)(C)NC(=O)c1ccc(S(=O)(=O)N2C(=O)C(C)(c3ccccc3Cl)c3cc(OCC(F)(F)F)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 7/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
AVPR1A P37288 1/20 0.37
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RECQL P46063 1/20 0.34
LIPE Q05469 1/20 0.34
AOC3 Q16853 2/20 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
SCHEMBL3233628 0.92 AVPR1A (0.43) GNRHRCYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL3226270 0.86 GNRHR (0.39) GNRHRCYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL3230306 0.86 HTT (0.43) GNRHRCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL3230218 0.85 ALDH1A1 (0.40) GNRHRCYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL3234116 0.85 GNRHR (0.38) GNRHRLMNAMAPTHTTKCNH2
SCHEMBL3235527 0.85 GNRHR (0.39) GNRHRCYP2C9CYP2C19ALDH1A1LMNA
SCHEMBL3233778 0.84 AVPR1A (0.41) GNRHRALDH1A1LMNAAVPR1AMEN1
SCHEMBL3231008 0.83 GNRHR (0.39) GNRHRALDH1A1LMNAAVPR1AMEN1
SCHEMBL3236849 0.83 AVPR1A (0.45) CYP2C9CYP2C19ALDH1A1LMNAAVPR1A
SCHEMBL3235051 0.83 AVPR1A (0.43) GNRHRCYP2C9CYP2C19ALDH1A1LMNA

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
EP-2097374-B1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AS SELECTIVE LIGANDS OF V2 VASOPRESSIN RECEPTORS SANOFI AVENTIS (FR) 2010-06-09 EP disclosed
US-20100069384-A1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY SANOFI-AVENTIS (FR) 2010-03-18 US disclosed
EP-2097374-A2 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AS SELECTIVE LIGANDS OF V2 VASOPRESSIN RECEPTORS Sanofi-Aventis (FR) 2009-09-09 EP disclosed
WO-2008087278-A2 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AS SELECTIVE LIGANDS OF V2 VASOPRESSIN RECEPTORS SANOFI-AVENTIS (FR) 2008-07-24 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-20100069384-A1 5-ALKYLOXY-INDOLIN-2-ONE DERIVATIVES, PREPARATION THEREOF AND APPLICATION THEREOF IN THERAPY AVPR2, AVPR1A, AVPR1B GNRHR 112/4885CYP1A2 1610/4885CYP3A4 2374/4885

“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.