SCHEMBL10045009

SCHEMBL10045009

C=Cc1cccc(-c2nn(C(C)C)nc2-c2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.45
▸ TP53 P04637 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RECQL P46063 1/20 0.35
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ TGFBR1 P36897 1/20 0.34
▸ GRM1 Q13255 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ AKT2 P31751 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ TBXA2R P21731 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
SCHEMBL10072206 0.84 PTGS2 (0.40) PTGS2TP53TDP1ALDH1A1TSHR
SCHEMBL8013007 0.83 TDP1 (0.42) PTGS2TP53TDP1ALDH1A1TSHR
SCHEMBL13509081 0.74 ADORA2A (0.49) TP53ALDH1A1PDE1APDE1BPDE1C
SCHEMBL13509036 0.73 KDM4E (0.42) TP53TDP1ALDH1A1PTGS1POLB
SCHEMBL13509079 0.73 MAPK14 (0.41) PDE1APDE1BPDE1C
SCHEMBL13509091 0.72 ABL1 (0.51) EGFRKMT2A
SCHEMBL14270968 0.71 ALDH1A1 (0.48) ALDH1A1POLBKMT2A
SCHEMBL714226 0.71 ALDH1A1 (0.59) PTGS2TP53TDP1ALDH1A1TSHR
SCHEMBL30618844 0.71 ALDH1A1 (0.59) PTGS2TP53TDP1ALDH1A1TSHR
Styrene SCHEMBL9129912 0.69 ALDH1A1 (0.64) PTGS2TP53TDP1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940688-B2 Fluorinated tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-27 — — US disclosed
US-8101567-B2 Heteroaryl-containing tripeptide HCV serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2012-01-24 — — US disclosed
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-13 — — US disclosed
US-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-13 — — US disclosed
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-08-06 — — 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-20090202485-A1 HETEROARYL-CONTAINING TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS PRSS1, CTSC, SPINT2 PTGS2 2731/4885TP53 1359/4885TDP1 2676/4885
US-20090197888-A1 FLUORINATED TRIPEPTIDE HCV SERINE PROTEASE INHIBITORS CTSC, PRSS1, SPINT2 PTGS2 3650/4885TP53 342/4885TDP1 2028/4885

“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.

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