SCHEMBL4147202

SCHEMBL4147202

CC(C)N(c1cc(-c2ccc(-c3cn4ccccc4n3)cc2)sc1C(=O)O)C(=O)[C@H]1CC[C@H](C(F)(F)F)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
FASN P49327 1/20 0.42
KDM4E B2RXH2 12/20 0.41
ALDH1A1 P00352 7/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
HPGD P15428 5/20 0.41
RAB9A P51151 7/20 0.37
NPC1 O15118 5/20 0.37
GFER P55789 3/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HSD17B10 Q99714 2/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
POLB P06746 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
TP53 P04637 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL4147205 1.00 PTGS1 (0.42) PTGS1PTGS2FASNKDM4EALDH1A1
SCHEMBL4148173 0.92 FASN (0.42) PTGS1PTGS2FASNKDM4EALDH1A1
SCHEMBL4148169 0.92 FASN (0.42) PTGS1PTGS2FASNKDM4EALDH1A1
SCHEMBL4152135 0.91 PTGS1 (0.45) PTGS1PTGS2FASNKDM4EALDH1A1
SCHEMBL4152130 0.91 PTGS1 (0.45) PTGS1PTGS2FASNKDM4EALDH1A1
SCHEMBL4142233 0.87 TP53 (0.43) ALDH1A1SMN1; SMN2HPGDRAB9ANPC1
SCHEMBL4142231 0.87 TP53 (0.43) ALDH1A1SMN1; SMN2HPGDRAB9ANPC1
SCHEMBL4776116 0.86 FASN (0.41) PTGS1PTGS2FASNKDM4EALDH1A1
SCHEMBL4776126 0.86 FASN (0.41) PTGS1PTGS2FASNKDM4EALDH1A1
SCHEMBL4138718 0.82 APOBEC3A (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US claimed
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
EP-1971599-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-24 EP disclosed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 WO disclosed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 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 (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-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds EIF2AK2, HAVCR2, MAVS PTGS1 2092/4885PTGS2 2027/4885FASN 3168/4885

“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.