SCHEMBL4813205

SCHEMBL4813205

CCn1nc(Cc2ccc(C(=O)OC(C)(C)C)cc2-c2ccc(C)cc2C(=O)OCc2ccccc2)c2ccc(C#N)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.34
NTRK1 P04629 1/20 0.34
NTRK2 Q16620 1/20 0.34
MAPT P10636 5/20 0.32
ALDH1A1 P00352 2/20 0.32
ABCB1 P08183 1/20 0.32
GAA P10253 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
TSHR P16473 2/20 0.32
MAPK1 P28482 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
DHODH Q02127 3/20 0.32
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL5248373 0.92 ELANE (0.36) ELANEMAPTTSHRMAPK1DHODH
SCHEMBL5248383 0.91 ELANE (0.36) ELANENTRK1NTRK2MAPTALDH1A1
SCHEMBL4815505 0.86 TSHR (0.36) ELANENTRK1NTRK2MAPTALDH1A1
SCHEMBL4816122 0.84 P2RX3 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL4815680 0.79 PTPRC (0.37) MAPTTSHRMAPK1TDP1HDAC1
SCHEMBL4814101 0.78 PLA2G4A (0.36) MAPTALDH1A1ABCB1GAAABCG2
SCHEMBL4812930 0.78 PLA2G4A (0.41) ELANETSHRMAPK1HDAC1HDAC8
SCHEMBL4813069 0.78 GABRA1 (0.35) ELANENTRK1NTRK2SSTR5
SCHEMBL4812944 0.77 PLA2G4A (0.38) ELANEMAPTALDH1A1ABCB1GAA
SCHEMBL4813212 0.75 MAPT (0.34) NTRK1NTRK2MAPTALDH1A1ABCB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7417063-B2 Bicyclic heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-26 US disclosed
US-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 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-20050228000-A1 of the coagulation cascade or contact activation system: thrombin, factor Xa, factor XIa, factor IXa, factor VIIa or plasma kallikrein; e.g. -(6-carbamimidoyl-1H-indol-3-ylmethyl)-4-methoxy-biphenyl-2-carboxylic acid; anticoagulant, antiinflammatory agent F12, F11, F2 ELANE 96/4885NTRK1 2014/4885NTRK2 1914/4885

“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.