SCHEMBL5881552

SCHEMBL5881552

CC(=O)N1CCc2c1cc(C)c(C(O)C(=O)O)c2C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 16/20 0.47
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP11B1 P15538 2/20 0.34
▸ CYP11B2 P19099 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
SCHEMBL3267361 0.76 NOTUM (0.53) NOTUMKDM4EALDH1A1HPGDCYP11B1
SCHEMBL3269563 0.76 NOTUM (0.53) NOTUMKDM4EALDH1A1HPGDCYP11B1
SCHEMBL5881634 0.74 NOTUM (0.48) NOTUMKDM4EALDH1A1HPGD
SCHEMBL1761252 0.71 NOTUM (0.48) NOTUMKDM4EALDH1A1HPGD
SCHEMBL5881609 0.68 NOTUM (0.45) NOTUMKDM4EALDH1A1HPGD
Acetic Acid SCHEMBL7951725 0.68 KDM4E (0.36) KDM4E
SCHEMBL5881721 0.68 NOTUM (0.44) NOTUMKDM4EALDH1A1HPGD
SCHEMBL7948082 0.67 KDM4E (0.38) KDM4E
SCHEMBL7948080 0.67 KDM4E (0.38) KDM4E
SCHEMBL5993336 0.66 NOTUM (0.42) NOTUMKDM4EALDH1A1HPGD

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-7012147-B2 Enzyme inhibitors; chemical intermediates SANKYO COMPANY, LIMITED (JP) 2006-03-14 — — US disclosed
US-20060014965-A1 Indoline derivative and process for producing the same SANKYO COMPANY, LIMITED (JP) 2006-01-19 — — US disclosed
US-20040058979-A1 Indoline derivative and process for producing the same SANKYO COMPANY, LIMITED (JP) 2004-03-25 — — US disclosed
EP-1364942-A1 INDOLINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME Sankyo Company, Limited (JP) 2003-11-26 — — EP 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-20060014965-A1 Indoline derivative and process for producing the same ACAT2, ACAT1, INMT NOTUM 294/4885KDM4E 1196/4885ALDH1A1 329/4885
US-20040058979-A1 Indoline derivative and process for producing the same ACAT2, ACAT1, INMT NOTUM 294/4885KDM4E 1196/4885ALDH1A1 329/4885

“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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