SCHEMBL4810702

SCHEMBL4810702

CCOC(=O)CNc1csc(CC)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGS2 P35354 1/20 0.41
GAA P10253 2/20 0.40
ELANE P08246 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.39
NPY1R P25929 1/20 0.39
KCNH2 Q12809 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL4840983 0.85 ALDH1A1 (0.43) ALDH1A1TP53TSHRHSD17B10PTGS2
SCHEMBL9075868 0.84 ALDH1A1 (0.42) ALDH1A1TP53TSHRHSD17B10PTGS2
SCHEMBL9076762 0.82 ALDH1A1 (0.52) ALDH1A1TSHRHSD17B10PTGS2ELANE
SCHEMBL4519283 0.74 MEN1 (0.64) ALDH1A1TP53TSHRGAAHTT
SCHEMBL4832424 0.73 TSHR (0.43) ALDH1A1TP53TSHRHSD17B10PTGS2
SCHEMBL9076268 0.72 MAPK1 (0.47) ALDH1A1TP53TSHRGAAHTT
SCHEMBL11508033 0.71 L3MBTL1 (0.44) HSD17B10KDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL31742478 0.71 ALDH1A1 (0.53) ALDH1A1TSHRGAAKDM4EHTT
SCHEMBL1246735 0.70 RAB9A (0.64) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL11704831 0.70 KDM4E (0.60) ALDH1A1TP53TSHRHSD17B10GAA

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 9 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
EP-1294691-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2003-03-26 EP disclosed
WO-2001096305-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-12-20 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-20030216403-A1 Serine protease inhibitors SERPINB1, SERPINE1, PRSS1 ALDH1A1 1913/4885TP53 3713/4885TSHR 3987/4885
US-20050267173-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 ALDH1A1 2580/4885TP53 3136/4885TSHR 2267/4885

“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.