SCHEMBL4030200

SCHEMBL4030200

CC(C)(C)OC(=O)N1CCc2[nH]nc(-c3ccc(Cl)c(I)c3)c2C1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.48
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
NPC1 O15118 1/20 0.45
ESR2 Q92731 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HMOX1 P09601 2/20 0.41
MET P08581 6/20 0.40
NR1H2 P55055 1/20 0.39
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39

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
SCHEMBL2966970 0.89 MAPK1 (0.49) MAPK1BRD4CREBBPNPC1ESR2
SCHEMBL2975661 0.86 MAPK1 (0.56) MAPK1BRD4CREBBPNPC1ESR2
SCHEMBL1336775 0.83 MAPK1 (0.56) MAPK1BRD4CREBBPNPC1ESR2
SCHEMBL4574120 0.82 MAPK1 (0.49) MAPK1BRD4CREBBPNPC1ALDH1A1
SCHEMBL2073836 0.82 MAPK1 (0.49) MAPK1BRD4CREBBPNPC1HMOX1
SCHEMBL4712216 0.82 MAPK1 (0.56) MAPK1BRD4CREBBPNPC1ESR2
SCHEMBL4762437 0.82 MAPK1 (0.72) MAPK1BRD4CREBBPNPC1DPP4
SCHEMBL10095067 0.81 BRD4 (0.67) MAPK1BRD4CREBBPNPC1
SCHEMBL10211781 0.81 MAPK1 (0.55) MAPK1BRD4CREBBPNPC1
SCHEMBL2977256 0.80 MAPK1 (0.57) MAPK1BRD4CREBBPNPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009102937-A1 PROCESSES FOR THE PREPARATION OF CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed
US-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. 2008-08-21 US disclosed
WO-2008100618-A2 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S SUNESIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO 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-20080200454-A1 CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S CTSS, CTSK, CTSZ MAPK1 1807/4885BRD4 381/4885CREBBP 3575/4885

“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.