SCHEMBL5210208

SCHEMBL5210208

CC(OC(=O)C(F)(F)F)c1ccc(NC(=O)CN(C(=O)c2cccc(CN)c2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
KMT2A Q03164 2/20 0.35
RAB9A P51151 2/20 0.35
RORC P51449 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ADRB2 P07550 1/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 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
Trifluoroacetic Acid SCHEMBL5214385 0.88 LMNA (0.46) LMNAKMT2ARAB9AMAPTPOLB
Trifluoroacetic Acid SCHEMBL5210202 0.87 LMNA (0.39) LMNAKMT2ARAB9AALDH1A1ADRB2
Trifluoroacetic Acid SCHEMBL5212474 0.84 CFD (0.44) LOXL2KMT2AALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL5243817 0.82 TPSAB1 (0.40) LOXL2KMT2AMAPTHPGD
Trifluoroacetic Acid SCHEMBL5208605 0.81 KMT2A (0.47) KMT2ARAB9AALDH1A1MAPTPOLB
SCHEMBL7425900 0.81 ALDH1A1 (0.38) KMT2AALDH1A1ADRB2MAPTPOLB
Trifluoroacetic Acid SCHEMBL5210679 0.81 CFD (0.46) KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL8043425 0.78 CFD (0.46) KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL5216743 0.78 TPSAB1 (0.39) KMT2AMAPT
Trifluoroacetic Acid SCHEMBL5244116 0.78 CFD (0.43) KMT2AALDH1A1

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
EP-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 US disclosed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 US disclosed
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 WO 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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 LMNA 563/4885LOXL2 146/4885KMT2A 2346/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 LMNA 865/4885LOXL2 148/4885KMT2A 3553/4885

“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.