SCHEMBL137101

SCHEMBL137101

CCCC(C)(C(=O)O)c1c(C)nc2sc3c(c2c1-c1cccc(Cl)c1)CC=CC=C3

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.32
FFAR1 O14842 1/20 0.31
MAPT P10636 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4D Q08499 1/20 0.30
LTB4R Q15722 1/20 0.30
DHODH Q02127 1/20 0.30

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
SCHEMBL135693 0.87 KMT2A (0.40) KMT2A
SCHEMBL15875922 0.80
SCHEMBL15875923 0.78 DHFR (0.40) KMT2AFFAR1
SCHEMBL137100 0.76 LTB4R (0.39) KMT2ALTB4R
SCHEMBL139224 0.73 KMT2A (0.49) KMT2A
SCHEMBL142735 0.72 KMT2A (0.51) KMT2A
SCHEMBL134620 0.72 KMT2A (0.51) KMT2A
SCHEMBL137385 0.72 KMT2A (0.53) KMT2A
SCHEMBL134951 0.71 KDM4E (0.49) KMT2A
SCHEMBL140589 0.71 KMT2A (0.45) KMT2A

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-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-03-08 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-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS KMT2A 2903/4885TRPM8 3991/4885FFAR1 4853/4885

“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.