SCHEMBL4801315

SCHEMBL4801315

NC(=O)C(CNc1cccc(Cl)c1)NC(=O)[CH]CC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.47
EPHX1 P07099 2/20 0.46
PPM1D O15297 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
MAP2K1 Q02750 1/20 0.39
POLB P06746 1/20 0.38
METAP2 P50579 2/20 0.38
CNR2 P34972 2/20 0.38
CTSS P25774 1/20 0.37
F13A1 P00488 1/20 0.36
TGM2 P21980 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL4798549 0.88 F3 (0.39) EPHX2MEN1KMT2ANPC1CYP1A2
SCHEMBL4797749 0.88 NPC1 (0.41) MEN1KMT2ANPC1RAB9ACTSS
SCHEMBL4800887 0.86 NPC1 (0.39) EPHX2EPHX1MEN1KMT2ANPC1
SCHEMBL4796292 0.85 TSHR (0.50) EPHX1KMT2ANPC1TSHRRAB9A
SCHEMBL4800960 0.84 CTSL (0.47) MEN1KMT2ACTSSALDH1A1
SCHEMBL4800027 0.84 BRD4 (0.38) MEN1KMT2ANPC1CTSSCYP1A2
SCHEMBL4798324 0.83 ALDH1A1 (0.36) EPHX2EPHX1KMT2ANPC1RAB9A
SCHEMBL4796161 0.83 CTSL (0.43) EPHX1CTSS
SCHEMBL4797850 0.82 MME (0.36) EPHX1MEN1KMT2AMETAP2CTSS
SCHEMBL4799908 0.81 TAS1R3 (0.40) MEN1KMT2ANPC1RAB9ACTSS

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-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US claimed
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US disclosed
US-7384970-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-06-10 US disclosed
US-20040248887-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-12-09 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 (2 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-20040248887-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ EPHX2 2128/4885EPHX1 2325/4885PPM1D 4114/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ EPHX2 2128/4885EPHX1 2325/4885PPM1D 4114/4885

“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.