SCHEMBL5678802

SCHEMBL5678802

COc1ccc(S(=O)(=O)N2C(=O)C(OC(=O)N3CCN(c4ccccn4)CC3)(c3cc(OC)ccc3OC)c3cc(Cl)ccc32)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 17/20 0.53
AVPR1A P37288 5/20 0.49
OXTR P30559 4/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AVPR2 P30518 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
GPR65 Q8IYL9 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL5674386 0.96 AVPR1B (0.57) AVPR1BAVPR1AOXTRKDM4EALDH1A1
SCHEMBL1465496 0.93 AVPR1B (0.60) AVPR1BAVPR1AOXTRKDM4EALDH1A1
SCHEMBL1464935 0.90 AVPR1B (0.54) AVPR1BAVPR1AOXTRKDM4EALDH1A1
SCHEMBL5675737 0.88 AVPR1B (0.58) AVPR1BAVPR1AOXTRAVPR2
SCHEMBL5677614 0.86 AVPR1B (0.53) AVPR1BAVPR1AOXTRKDM4EALDH1A1
SCHEMBL5675846 0.85 AVPR1B (0.63) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL5674035 0.82 AVPR1B (0.62) AVPR1BAVPR1AOXTR
SCHEMBL1464575 0.82 AVPR1B (0.55) AVPR1BAVPR1AOXTRAVPR2GPR65
SCHEMBL74522 0.82 AVPR1B (0.63) AVPR1BKDM4EALDH1A1L3MBTL1LMNA
SCHEMBL5675666 0.81 AVPR1B (0.54) AVPR1BAVPR1AOXTRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119086-B2 Phenylsulfonyl-1,3-dihydro-2h-indole-2-one derivatives, their preparation and their therapeutic use SANOFI-AVENTIS (FR) 2006-10-10 US disclosed
US-20040180878-A1 Phenylsulfonyl-1,3-dihydro-2h-indole-2-one derivatives, their preparation and their therapeutic use SANOFI-AVENTIS (FR) 2004-09-16 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 (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-20040180878-A1 Phenylsulfonyl-1,3-dihydro-2h-indole-2-one derivatives, their preparation and their therapeutic use AVPR2, AVPR1A, AVPR1B AVPR1B 3/4885AVPR1A 2/4885OXTR 5/4885

“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.