Sugi Predict

Sugi Predict / Compounds / SCHEMBL1795307

SCHEMBL1795307

SCHEMBL1795307

COCc1ccccc1C1(OC(=O)N2CCN(C3CCN(C)CC3)CC2)C(=O)N(S(=O)(=O)c2ccc(OC)cc2)c2ccc(OC)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.42
▸ KDM4E B2RXH2 5/20 0.40
▸ CHRM2 P08172 5/20 0.38
▸ CHRM1 P11229 2/20 0.38
▸ OXTR P30559 2/20 0.37
▸ AVPR1A P37288 2/20 0.37
▸ AVPR1B P47901 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ MMP7 P09237 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP8 P22894 1/20 0.36
▸ PKM P14618 1/20 0.36

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
SCHEMBL1798851 0.89 KDM4E (0.39) ALDH1A1KDM4EOXTRAVPR1AAVPR1B
SCHEMBL1794528 0.88 ALDH1A1 (0.45) ALDH1A1KDM4ECHRM2CHRM1AVPR1B
SCHEMBL1797494 0.87 AVPR1B (0.46) OXTRAVPR1AAVPR1B
Hydrochloric Acid SCHEMBL1795014 0.87 ALDH1A1 (0.41) ALDH1A1KDM4ECHRM2CHRM1OXTR
SCHEMBL1798605 0.87 ALDH1A1 (0.42) ALDH1A1KDM4ECHRM2CHRM1OXTR
SCHEMBL1797246 0.86 KDM4E (0.41) ALDH1A1KDM4ECHRM2CHRM1OXTR
Hydrochloric Acid SCHEMBL1797217 0.85 AVPR1B (0.40) ALDH1A1OXTRAVPR1AAVPR1BLMNA
Hydrochloric Acid SCHEMBL1794852 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EOXTRAVPR1AAVPR1B
SCHEMBL1795257 0.85 ALDH1A1 (0.43) ALDH1A1KDM4EAVPR1BLMNAHTT
SCHEMBL1794720 0.85 ALDH1A1 (0.47) ALDH1A1KDM4ECHRM2CHRM1OXTR

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-8338590-B2 Substituted oxindole derivatives and medicaments containing the same ABBOTT GMBH & CO. KG (DE) 2012-12-25 — — US disclosed
US-20110257194-A1 SUBSTITUTED OXINDOL DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME ABBOTT GMBH & CO. KG (DE) 2011-10-20 — — US disclosed
US-7951807-B2 Substituted oxindol derivatives and medicaments containing the same ABBOTT GMBH & CO. KG (DE) 2011-05-31 — — US disclosed
US-20090005397-A1 Substituted Oxindol Derivatives and Medicaments Containing the Same ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2009-01-01 — — 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-20090005397-A1 Substituted Oxindol Derivatives and Medicaments Containing the Same OXTR, AVPR2, AVPR1B ALDH1A1 917/4885KDM4E 4081/4885CHRM2 154/4885
US-20110257194-A1 SUBSTITUTED OXINDOL DERIVATIVES AND MEDICAMENTS CONTAINING THE SAME OXTR, AVPR2, AVPR1B ALDH1A1 814/4885KDM4E 4261/4885CHRM2 157/4885

“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.