SCHEMBL5423903

SCHEMBL5423903

Nc1ccc(CCNC(=O)O)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42
NR1H2 P55055 1/20 0.42
CNR1 P21554 1/20 0.40
EPHX2 P34913 3/20 0.37
PPARG P37231 1/20 0.37
S1PR1 P21453 1/20 0.37
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
PTGS1 P23219 1/20 0.35
CFTR P13569 1/20 0.35
MAPT P10636 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL4678727 0.86 EPHX2 (0.48) POLBGAAGLATSHRNR1H2
SCHEMBL20214362 0.80 NR1H2 (0.41) POLBGAAGLATSHRNR1H2
SCHEMBL19212130 0.80 AKR1B1 (0.44) CNR1MAPT
SCHEMBL382068 0.78 CNR1 (0.60) POLBGAACNR1EPHX2MAPT
SCHEMBL1028248 0.77 MAPT (0.35) POLBGAATSHRCNR1EPHX2
SCHEMBL20142586 0.77 NR1H2 (0.61) GAANR1H2MAPT
SCHEMBL168194 0.77 CNR1 (0.46) POLBGAACNR1EPHX2MAPT
SCHEMBL2728649 0.76 GLA (0.48) POLBGAAGLATSHRNR1H2
SCHEMBL2794348 0.76 GAA (0.52) POLBGAAGLATSHRNR1H2
SCHEMBL26460616 0.76 GAA (0.55) POLBGAAGLATSHRNR1H2

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-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-06-28 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-20070149533-A1 Bicyclic compounds with kinase inhibitory activity MAP3K20, MAP3K1, MAP3K5 POLB 1395/4885GAA 1352/4885GLA 3917/4885

“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.