SCHEMBL4827366

SCHEMBL4827366

CC(C)CC(CNCCCCc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1N

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 2/20 0.43
F2 P00734 2/20 0.42
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4822156 0.97 TSHR (0.49) TSHRCYP2C9CYP2C19SMN1; SMN2EPHX2
SCHEMBL4819462 0.93 TSHR (0.48) TSHRCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL4827358 0.90 F2 (0.44) TSHRCYP2C9CYP2C19EPHX2F2
SCHEMBL4826990 0.88 TSHR (0.49) TSHRCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL4822150 0.87 EPHX2 (0.46) TSHRCYP2C9CYP2C19EPHX2F2
SCHEMBL4819456 0.82 TAAR1 (0.48) SMN1; SMN2EPHX2F2ALDH1A1
SCHEMBL4826884 0.81 TSHR (0.46) TSHRCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL4824861 0.81 TSHR (0.46) TSHRCYP2C9CYP2C19SMN1; SMN2HSD17B10
SCHEMBL4827348 0.78 CTSL (0.41) TSHRCYP2C9CYP2C19
SCHEMBL4597880 0.78 TAAR1 (0.61) HSD17B10ALDH1A1KMT2A

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-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 US claimed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 US claimed
US-7358373-B2 Cathepsin K inhibitors ROCHE PALO ALTO LLC (US) 2008-04-15 US disclosed
US-20070032484-A1 Cathepsin K inhibitors ROCHE PALO ALTO LLC 2007-02-08 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-20070032484-A1 Cathepsin K inhibitors CTSK, CTSS, CTSF TSHR 2926/4885CYP2C9 1781/4885CYP2C19 1608/4885

“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.