SCHEMBL20009932

SCHEMBL20009932

Cc1cccc(NC(=O)C2C(C(=O)O)C3C=CC2C32CC2)c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.63
FPR2 P25090 9/20 0.62
ALDH1A1 P00352 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NPSR1 Q6W5P4 2/20 0.61
POLB P06746 2/20 0.61
TP53 P04637 1/20 0.61
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
LMNA P02545 1/20 0.52
FPR3 P25089 2/20 0.48
MEN1 O00255 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL727476 0.85 FPR2 (0.77) PKMFPR2ALDH1A1SMN1; SMN2FPR3
SCHEMBL20013751 0.85 ALDH1A1 (0.73) PKMFPR2ALDH1A1SMN1; SMN2NPSR1
SCHEMBL12040473 0.84 FPR2 (0.76) PKMFPR2ALDH1A1SMN1; SMN2FPR3
SCHEMBL726965 0.82 FPR2 (0.58) PKMFPR2ALDH1A1SMN1; SMN2RAB9A
SCHEMBL728702 0.79 ALDH1A1 (0.74) PKMFPR2ALDH1A1SMN1; SMN2FPR3
SCHEMBL728698 0.78 FPR2 (0.74) PKMFPR2ALDH1A1SMN1; SMN2FPR3
SCHEMBL20009933 0.78 ALDH1A1 (0.72) PKMALDH1A1NPSR1POLBTP53
SCHEMBL726966 0.78 FPR2 (0.78) PKMFPR2ALDH1A1SMN1; SMN2FPR3
SCHEMBL728706 0.77 FPR2 (0.72) PKMFPR2ALDH1A1SMN1; SMN2FPR3
SCHEMBL726819 0.76 FPR2 (1.00) PKMFPR2ALDH1A1SMN1; SMN2FPR3

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-20180086696-A1 RUNX2 Transcription Factor Inhibitors and Uses Thereof UNIVERSITY OF MARYLAND, BALTIMORE (US) 2018-03-29 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-20180086696-A1 RUNX2 Transcription Factor Inhibitors and Uses Thereof CBFB, RUNX1, NCOA3 PKM 4632/4885FPR2 2578/4885ALDH1A1 4181/4885

“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.