SCHEMBL4812018

SCHEMBL4812018

NC(=O)c1ccc2c(c1)CCC2.NCc1cccc(C(=O)N(CC(=O)O)c2csc(NC(=O)CO)n2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
MAPK14 Q16539 2/20 0.34
SMYD3 Q9H7B4 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.32
MAPK8 P45983 2/20 0.32
ENPP2 Q13822 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
TRPC6 Q9Y210 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
POLB P06746 1/20 0.32
GFER P55789 1/20 0.32
PAX8 Q06710 1/20 0.32
KLF5 Q13887 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
MEP1B Q16820 1/20 0.32

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
SCHEMBL4805867 0.93 MAPT (0.38) NPC1RAB9AMAPK14SMYD3SMN1; SMN2
Trifluoroacetic Acid SCHEMBL4809541 0.89 MAPT (0.35) NPC1RAB9AMAPK14SMN1; SMN2LMNA
SCHEMBL4812613 0.87 MAPK14 (0.36) NPC1RAB9AMAPK14SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4806911 0.86 MEN1 (0.36) NPC1RAB9AMAPK14SMN1; SMN2LMNA
SCHEMBL7127489 0.85 MEN1 (0.37) NPC1RAB9AMAPK14SMN1; SMN2LMNA
Trifluoroacetic Acid SCHEMBL4807459 0.85 MAPK14 (0.33) NPC1RAB9AMAPK14SMN1; SMN2LMNA
Trifluoroacetic Acid SCHEMBL4809310 0.82 MEN1 (0.35) NPC1RAB9AMAPK14SMN1; SMN2LMNA
Trifluoroacetic Acid SCHEMBL4802588 0.81 MEN1 (0.35) MAPK14SMN1; SMN2HPGDENPP2MEN1
Trifluoroacetic Acid SCHEMBL4809992 0.81 ENPP2 (0.41) NPC1RAB9AMAPK14SMN1; SMN2LMNA
Trifluoroacetic Acid SCHEMBL4809932 0.81 MAPK14 (0.35) NPC1RAB9AMAPK14SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7381734-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2008-06-03 US disclosed
EP-1294691-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2006-11-08 EP disclosed
US-7074934-B2 An aromatic alkylamino compound containing a lipophilic group useful as antithrombotic agent as well as treats asthma TULARIK LIMITED (GB) 2006-07-11 US disclosed
US-7067516-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2006-06-27 US disclosed
US-20050267173-A1 Serine protease inhibitors LIVELY SARAH E 2005-12-01 US disclosed
US-20040116439-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2004-06-17 US disclosed
US-20030216403-A1 Serine protease inhibitors TULARIK LIMITED (GB) 2003-11-20 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 (2 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-20030216403-A1 Serine protease inhibitors SERPINB1, SERPINE1, PRSS1 NPC1 920/4885RAB9A 3346/4885MAPK14 3700/4885
US-20050267173-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 NPC1 3113/4885RAB9A 2685/4885MAPK14 3086/4885

“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.