SCHEMBL10077548

SCHEMBL10077548

CCOC(=O)[C@@H]1CN(C)C[C@H]1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.41
PTPN1 P18031 1/20 0.41
PPP1CC P36873 1/20 0.41
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL17756059 1.00 PPM1B (0.41) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL10841947 0.81 MAPT (0.37) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL12457799 0.81 MAPT (0.37) MAPTALDH1A1
SCHEMBL17929007 0.81 MAPT (0.37) PPM1BPTPN1MAPTALDH1A1
SCHEMBL14376624 0.81 MAPT (0.37) MAPTALDH1A1
SCHEMBL20706445 0.80 MAPT (0.36) MAPTALDH1A1
SCHEMBL17756060 0.80 KDM4E (0.40) MAPTALDH1A1
SCHEMBL13110289 0.80 PPM1B (0.37) PPM1BPTPN1PPP1CCMAPTALDH1A1
SCHEMBL7826374 0.79 GABRR1 (0.46) MAPTALDH1A1
SCHEMBL19080639 0.79 GABRR1 (0.46) MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142752-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-06-07 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-20120142752-A1 HIV PROTEASE INHIBITORS SERPINB1, PRSS1, SERPINB6 PPM1B 1660/4885PTPN1 2778/4885PPP1CC 3168/4885

“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.