SCHEMBL1076918

SCHEMBL1076918

CCOC(=O)C(C)(C)Oc1ccc2c(c1)CNCC2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ HTR2A P28223 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ PPARG P37231 1/20 0.45
▸ FBP1 P09467 7/20 0.43
▸ PNMT P11086 1/20 0.43

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
SCHEMBL12151279 0.93 PPARA (0.53) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4519555 0.86 PNMT (0.46) PNMT
SCHEMBL5256841 0.83 PNMT (0.48) PPARACYP1A2CYP3A4TSHRPNMT
SCHEMBL12151136 0.82 PPARA (0.48) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL6496802 0.81 PPARA (0.52) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL6488156 0.81 PPARA (0.52) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4514434 0.81 ASIC3 (0.41) PNMT
SCHEMBL4982190 0.78 PPARA (0.45) PPARACYP1A2CYP3A4TSHRPPARG
SCHEMBL3601539 0.77 PNMT (0.44) PNMT
SCHEMBL9306007 0.76 ACHE (0.56) PPARAABCB11CYP1A2CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8586748-B2 2-sulfonylamino-4-heteroaryl butyramide antagonists of CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 — — US disclosed
US-8586748-B2 2-sulfonylamino-4-heteroaryl butyramide antagonists of CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-19 — — US disclosed
US-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 — — US disclosed
US-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 — — US disclosed
US-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 — — US disclosed
EP-2276731-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 Boehringer Ingelheim International GmbH (DE) 2011-01-26 — — EP disclosed
WO-2009126675-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 — — WO disclosed
WO-2009126675-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 — — WO disclosed
US-20080096916-A1 Drugs And Prodrugs Useful The Treatment Of Energy Balance In Ruminants PFIZER INC. (US) 2008-04-24 — — US disclosed
US-20080096916-A1 Drugs And Prodrugs Useful The Treatment Of Energy Balance In Ruminants PFIZER INC. (US) 2008-04-24 — — 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-20110275800-A1 2-SULFONYLAMINO-4-HETEROARYL BUTYRAMIDE ANTAGONISTS OF CCR10 CCR10, CCR1, CCR4 PPARA 770/4885ABCB11 252/4885CYP1A2 859/4885
US-20080096916-A1 Drugs And Prodrugs Useful The Treatment Of Energy Balance In Ruminants ALPP, PIGS, GYS2 PPARA 614/4885ABCB11 41/4885CYP1A2 1081/4885

“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.

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