SCHEMBL17344745

SCHEMBL17344745

Cc1c(C(C)C)ccc2c1NC(=O)CO2

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.52
MMP12 P39900 1/20 0.46
PARP1 P09874 1/20 0.40
ADRB1 P08588 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
ADRB2 P07550 2/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
MAP4K1 Q92918 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 3/20 0.34
GRM5 P41594 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL16746129 0.84 MMP12 (0.43) NR3C2MMP12PARP1ADRB1SMN1; SMN2
SCHEMBL17348473 0.80 NR3C2 (0.57) NR3C2MMP12PARP1SMN1; SMN2ALDH1A1
SCHEMBL8306404 0.79 NR3C2 (0.47) NR3C2MMP12PARP1ADRB1SMN1; SMN2
SCHEMBL6432532 0.79 NR3C2 (0.56) NR3C2MMP12PARP1SMN1; SMN2ALDH1A1
SCHEMBL24776150 0.78 NR3C2 (0.52) NR3C2MMP12PARP1SMN1; SMN2ALDH1A1
SCHEMBL15052400 0.78 NR3C2 (0.55) NR3C2MMP12PARP1ADRB1ALDH1A1
SCHEMBL3489583 0.78 NR3C2 (0.55) NR3C2MMP12PARP1SMN1; SMN2ALDH1A1
SCHEMBL22803133 0.75 NR3C2 (0.52) NR3C2MMP12PARP1SMN1; SMN2ALDH1A1
SCHEMBL24775935 0.75 NR3C2 (0.52) NR3C2MMP12PARP1SMN1; SMN2ALDH1A1
SCHEMBL15052476 0.75 NR3C2 (0.52) NR3C2MMP12PARP1SMN1; SMN2ALDH1A1

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-20150361093-A1 HIV REPLICATION INHIBITOR SHIONOGI & CO., LTD. (JP) 2015-12-17 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-20150361093-A1 HIV REPLICATION INHIBITOR RTF2, REV1, PCNA NR3C2 2947/4885MMP12 3816/4885PARP1 123/4885

“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.