SCHEMBL12445277

SCHEMBL12445277

CC(C)(C)c1cc(CS)ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.57
PYCR1 P32322 1/20 0.36
TP53 P04637 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
HIF1A Q16665 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
PNMT P11086 2/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
GMNN O75496 1/20 0.32
GABBR2 O75899 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL19398823 0.82 HSPA5 (0.43) IDO1PYCR1TP53CYP2C9CYP2C19
SCHEMBL24969799 0.80 IDO1 (0.61) IDO1PYCR1LMNASLC6A4GPR84
SCHEMBL15784840 0.74 GPR84 (0.42) IDO1TP53CYP2C9CYP2C19HIF1A
SCHEMBL78606 0.74 IDO1 (0.39) IDO1PYCR1TP53CYP2C19ALDH1A1
SCHEMBL232137 0.73 IDO1 (1.00) IDO1TP53CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL12062356 0.73 PNMT (0.46) IDO1SMN1; SMN2PNMTALOX15TAAR1
SCHEMBL21302117 0.72 ESR1 (0.40) IDO1PYCR1GAAMEN1KMT2A
SCHEMBL78610 0.72 LMNA (0.43) IDO1SMN1; SMN2LMNAPNMTCYP3A4
SCHEMBL799894 0.72 TP53 (0.48) TP53SMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL10610735 0.70 ALDH1A1 (0.43) CYP2C19ALDH1A1LMNATSHRGAA

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-8895497-B2 Cathepsin S inhibitors DCB-USA, LLC (US) 2014-11-25 US disclosed
US-20110166141-A1 CATHEPSIN S INHIBITORS DCB-USA, LLC (US) 2011-07-07 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-20110166141-A1 CATHEPSIN S INHIBITORS CTSS, CTSV, CTSB IDO1 1667/4885PYCR1 2965/4885TP53 384/4885

“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.