Sugi Predict

Sugi Predict / Compounds / SCHEMBL3576539

SCHEMBL3576539

SCHEMBL3576539

CCOC(=O)c1cc2ccc(C(F)c3nnc(-c4ccccc4)o3)cc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.45
▸ ALDH1A1 P00352 6/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ PTPN2 P17706 2/20 0.41
▸ TARBP2 Q15633 1/20 0.41
▸ KDM4E B2RXH2 5/20 0.40
▸ HPGD P15428 5/20 0.40
▸ USP2 O75604 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CASP3 P42574 2/20 0.39
▸ SENP7 Q9BQF6 2/20 0.39
▸ SENP6 Q9GZR1 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL3570560 0.86 S1PR3 (0.44) TP53ALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL3566006 0.76 PPARD (0.39) TP53ALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL3568906 0.75 PTPN2 (0.46) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL3575441 0.75 BCL2L1 (0.40) ALDH1A1KDM4EKMT2AL3MBTL1MEN1
SCHEMBL3503404 0.73 MAPT (0.46) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4312845 0.73 S1PR3 (0.36) KDM4EUSP2HSD17B10S1PR3
SCHEMBL3570193 0.72 PTPN2 (0.46) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL3503599 0.72 AKR1C3 (0.51) SMN1; SMN2MAPTNPC1RAB9APTPN2
SCHEMBL3504110 0.72 PTPN2 (0.46) ALDH1A1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL3503375 0.71 PTPN2 (0.46) TP53ALDH1A1SMN1; SMN2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834034-B2 Benzothiophene derivatives MERCK SHARP & DOHME CORP. (US) 2010-11-16 — — US disclosed
EP-1874295-A4 BENZOTHIOPHENE DERIVATIVES MERCK & CO INC (US) 2009-08-12 — — EP disclosed
US-20090082308-A1 Benzothiophene derivatives MERCK SHARP & DOHME LLC 2009-03-26 — — US disclosed
US-20090012075-A1 Fluorinated Arylamide Derivatives MERCK SHARP & DOHME CORP. 2009-01-08 — — US disclosed
EP-1976511-A2 FLUORINATED ARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-08 — — EP disclosed
EP-1874295-A1 BENZOTHIOPHENE DERIVATIVES Merck & Co., Inc. (US) 2008-01-09 — — EP disclosed
WO-2007087129-A2 FLUORINATED ARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 — — WO disclosed
WO-2006115845-A1 BENZOTHIOPHENE DERIVATIVES MERCK & CO., INC. (US) 2006-11-02 — — 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-20090012075-A1 Fluorinated Arylamide Derivatives HDAC5, AADAC, HDAC6 TP53 1272/4885ALDH1A1 826/4885SMN1; SMN2 1013/4885
US-20090082308-A1 Benzothiophene derivatives BRDT, HDAC5, BRPF3 TP53 1448/4885ALDH1A1 914/4885SMN1; SMN2 1431/4885

“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.