SCHEMBL4999428

SCHEMBL4999428

COc1ccc2c(c1)N(C(=O)OC(C)(C)C)C(C(=O)O)C2

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KYAT1 Q16773 1/20 0.45
KYAT3 Q6YP21 1/20 0.45
AADAT Q8N5Z0 1/20 0.45
ALDH1A1 P00352 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
STS P08842 1/20 0.41
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
NR1H2 P55055 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL29442994 1.00 KYAT1 (0.45) KYAT1KYAT3AADATALDH1A1HDAC8
SCHEMBL29442988 0.89 PTPN1 (0.47) KYAT1KYAT3AADATALDH1A1HDAC8
SCHEMBL21490330 0.89 PTPN1 (0.47) KYAT1KYAT3AADATALDH1A1HDAC8
SCHEMBL22355756 0.82 KYAT1 (0.43) KYAT1KYAT3AADATALDH1A1HDAC8
SCHEMBL3702462 0.81 ACE (0.55)
SCHEMBL705456 0.81 ACE (0.55)
SCHEMBL927332 0.81 ACE (0.55)
SCHEMBL29443087 0.81 ACE (0.55)
SCHEMBL31092820 0.81 ACE (0.55)
SCHEMBL29545684 0.81 ACE (0.55)

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-20080221114-A1 2-(Cyclic Aminocarbonyl) Indoline Derivative and Medicinal Composition Containing the Same DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-09-11 US disclosed
EP-1840126-A1 2-(CYCLIC AMINOCARBONYL)INDOLINE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE SAME Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-10-03 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 (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-20080221114-A1 2-(Cyclic Aminocarbonyl) Indoline Derivative and Medicinal Composition Containing the Same CYP11B2, CYP11B1, GRIN2A KYAT1 1696/4885KYAT3 1324/4885AADAT 461/4885

“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.