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Sugi Predict / Compounds / SCHEMBL4155723

SCHEMBL4155723

SCHEMBL4155723

COC(=O)c1sc(-c2ccc(-c3cn4ccccc4n3)cc2)cc1N(C(=O)[C@H]1CC[C@H](C)CC1)C(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 14/20 0.43
▸ ALDH1A1 P00352 11/20 0.43
▸ HPGD P15428 9/20 0.43
▸ SMN1; SMN2 Q16637 8/20 0.43
▸ FASN P49327 1/20 0.43
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ RAB9A P51151 7/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ PKM P14618 2/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ ADRB2 P07550 1/20 0.40
▸ HTT P42858 2/20 0.39
▸ TSHR P16473 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TP53 P04637 2/20 0.39
▸ ATM Q13315 1/20 0.38
▸ LMNA P02545 3/20 0.38

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
SCHEMBL4155724 1.00 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2FASN
SCHEMBL4152130 0.91 PTGS1 (0.45) KDM4EALDH1A1HPGDSMN1; SMN2FASN
SCHEMBL4152135 0.91 PTGS1 (0.45) KDM4EALDH1A1HPGDSMN1; SMN2FASN
SCHEMBL4148169 0.91 FASN (0.42) KDM4EALDH1A1HPGDSMN1; SMN2FASN
SCHEMBL4148173 0.91 FASN (0.42) KDM4EALDH1A1HPGDSMN1; SMN2FASN
SCHEMBL4151930 0.89 NPC1 (0.40) KDM4EALDH1A1HPGDSMN1; SMN2FASN
SCHEMBL4151925 0.89 NPC1 (0.40) KDM4EALDH1A1HPGDSMN1; SMN2FASN
SCHEMBL14434826 0.88 KDM4E (0.44) KDM4EALDH1A1HPGDSMN1; SMN2FASN
SCHEMBL4152699 0.87 TP53 (0.46) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1
SCHEMBL13852134 0.87 TP53 (0.46) ALDH1A1HPGDSMN1; SMN2RAB9ANPC1

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 disclosed
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 KDM4E 794/4885ALDH1A1 1037/4885HPGD 4655/4885

“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.