SCHEMBL19919862

SCHEMBL19919862

CCC(=O)c1ccc(C(=O)O)nc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 16/20 0.66
P4HA1 P13674 1/20 0.66
MIF P14174 1/20 0.66
KDM4E B2RXH2 3/20 0.59
L3MBTL1 Q9Y468 3/20 0.59
MAPK1 P28482 1/20 0.59
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
PKM P14618 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
THPO P40225 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL9621792 0.86 P4HTM (0.61) P4HTMP4HA1MIFKDM4EL3MBTL1
SCHEMBL23625508 0.81 P4HTM (0.42) P4HTMP4HA1MIFKDM4EL3MBTL1
Pyridine-2,5-Dicarboxylic Acid SCHEMBL70231 0.80 P4HTM (1.00) P4HTMP4HA1MIFKDM4EL3MBTL1
Pyridine-2,5-Dicarboxylic Acid SCHEMBL29363410 0.80 P4HTM (1.00) P4HTMP4HA1MIFKDM4EL3MBTL1
SCHEMBL30786512 0.79 KDM4E (0.56) P4HTMP4HA1MIFKDM4EL3MBTL1
SCHEMBL23149647 0.79 KDM4E (0.56) P4HTMP4HA1MIFKDM4EL3MBTL1
SCHEMBL1585449 0.79 P4HTM (0.73) P4HTMP4HA1MIFKDM4EL3MBTL1
Pyridine-2,5-Dicarboxylic Acid SCHEMBL11489139 0.78 P4HTM (0.95) P4HTMP4HA1MIFKDM4EL3MBTL1
Pyridine-2,5-Dicarboxylic Acid SCHEMBL21173963 0.78 P4HTM (0.95) P4HTMP4HA1MIFKDM4EL3MBTL1
Pyridine-2,5-Dicarboxylic Acid SCHEMBL9341728 0.78 P4HTM (0.95) P4HTMP4HA1MIFKDM4EL3MBTL1

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-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY VERTEX PHARMACEUTICALS INCORPORATED 2018-03-01 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-20180057505-A1 BICYCLIC HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF THE PAR-2 SIGNALING PATHWAY F2RL1, PARP12, TFPI2 P4HTM 1576/4885P4HA1 1571/4885MIF 2204/4885

“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.