SCHEMBL9610748

SCHEMBL9610748

CC(C)CC(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.50
REN P00797 3/20 0.48
AAK1 Q2M2I8 1/20 0.47
HDAC8 Q9BY41 2/20 0.47
MMP3 P08254 4/20 0.47
MMP2 P08253 1/20 0.47
CTSK P43235 3/20 0.46
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSS P25774 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
EGFR P00533 1/20 0.45
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
HDAC3 O15379 1/20 0.44

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
SCHEMBL15576741 1.00 CAPN1 (0.50) CAPN1RENAAK1HDAC8MMP3
SCHEMBL9609480 0.88 CTSK (0.59) CAPN1RENAAK1HDAC8MMP3
SCHEMBL9610763 0.88 CTSK (0.59) CAPN1RENAAK1HDAC8MMP3
SCHEMBL9610767 0.86 HDAC8 (0.59) RENHDAC8MMP3MMP2CTSK
SCHEMBL15576634 0.86 HDAC8 (0.59) RENHDAC8MMP3MMP2CTSK
SCHEMBL2838829 0.80 CTSL (0.50) CAPN1RENCTSKCTSLCTSB
SCHEMBL2838832 0.80 CTSL (0.50) CAPN1RENCTSKCTSLCTSB
SCHEMBL15576740 0.79 CAPN1 (0.57) CAPN1MMP3MMP2CTSLMMP1
SCHEMBL9610750 0.79 CAPN1 (0.57) CAPN1MMP3MMP2CTSLMMP1
SCHEMBL9610737 0.79 CTSL (0.64) HDAC8CTSKCTSLCTSSMAPT

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-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 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-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 CAPN1 645/4885REN 1785/4885AAK1 1932/4885

“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.