SCHEMBL16821402

SCHEMBL16821402

CCOC(=O)C1C2CC3(COC3)CC21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.42
PTPN1 P18031 1/20 0.42
PPP1CC P36873 1/20 0.42
ALDH1A1 P00352 2/20 0.34
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 4/20 0.33
MAPT P10636 1/20 0.32
POLB P06746 1/20 0.32
HSD11B1 P28845 1/20 0.32
CYP1A2 P05177 1/20 0.31

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
SCHEMBL25348687 0.82 CYP3A4 (0.41) PPM1BPTPN1PPP1CCALDH1A1CYP2C19
SCHEMBL7217098 0.77 PPM1B (0.42) PPM1BPTPN1PPP1CCALDH1A1CYP2C19
SCHEMBL12219020 0.77 PPM1B (0.42) PPM1BPTPN1PPP1CCALDH1A1CYP2C19
SCHEMBL1614134 0.76 PPM1B (0.49) PPM1BPTPN1PPP1CCALDH1A1LMNA
SCHEMBL28403234 0.76 PPM1B (0.49) PPM1BPTPN1PPP1CCALDH1A1LMNA
SCHEMBL20489196 0.76 PPM1B (0.49) PPM1BPTPN1PPP1CCALDH1A1LMNA
SCHEMBL16405665 0.76 PPM1B (0.49) PPM1BPTPN1PPP1CCALDH1A1LMNA
SCHEMBL15712143 0.73 PPM1B (0.53) PPM1BPTPN1PPP1CCALDH1A1LMNA
SCHEMBL30148891 0.73 PPM1B (0.39) PPM1BPTPN1PPP1CCALDH1A1CYP2C19
SCHEMBL34472936 0.73 PPM1B (0.46) PPM1BPTPN1PPP1CCALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083599-B1 PYRAZOLE DERIVATIVES AND USES THEREOF AS INHIBITORS OF DLK HOFFMANN LA ROCHE (CH) 2020-07-01 EP disclosed
EP-3083599-A1 PYRAZOLE DERIVATIVES AND USES THEREOF AS INHIBITORS OF DLK F. Hoffmann-La Roche AG (CH) 2016-10-26 EP disclosed
US-9365583-B2 Substituted pyrazoles and uses thereof GENENTECH, INC. (US) 2016-06-14 US disclosed
US-9365583-B2 Substituted pyrazoles and uses thereof GENENTECH, INC. (US) 2016-06-14 US disclosed
US-9365583-B2 Substituted pyrazoles and uses thereof GENENTECH, INC. (US) 2016-06-14 US disclosed
WO-2015091889-A1 PYRAZOLE DERIVATIVES AND USES THEREOF AS INHIBITORS OF DLK F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 WO disclosed
WO-2015091889-A1 PYRAZOLE DERIVATIVES AND USES THEREOF AS INHIBITORS OF DLK F. HOFFMANN-LA ROCHE AG (CH) 2015-06-25 WO disclosed
US-20150175619-A1 SUBSTITUTED PYRAZOLES AND USES THEREOF GENENTECH, INC. (US) 2015-06-25 US disclosed
US-20150175619-A1 SUBSTITUTED PYRAZOLES AND USES THEREOF GENENTECH, INC. (US) 2015-06-25 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-20150175619-A1 SUBSTITUTED PYRAZOLES AND USES THEREOF PDXK, NLK, PDK3 PPM1B 2240/4885PTPN1 3670/4885PPP1CC 2062/4885

“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.