Sugi Predict

Sugi Predict / Compounds / SCHEMBL10130643

SCHEMBL10130643

SCHEMBL10130643

CC(C)Cc1ccc(-c2cccs2)s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.61
▸ DPP4 P27487 4/20 0.59
▸ ALDH1A1 P00352 6/20 0.45
▸ LMNA P02545 3/20 0.45
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ CASP7 P55210 1/20 0.44

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
SCHEMBL6635600 0.86 LTA4H (0.62) LTA4HDPP4ALDH1A1LMNAL3MBTL1
SCHEMBL21608633 0.85 LTA4H (0.56) LTA4HDPP4ALDH1A1LMNAL3MBTL1
SCHEMBL23992200 0.81 LTA4H (0.56) LTA4HDPP4ALDH1A1LMNAL3MBTL1
SCHEMBL8575790 0.79 LTA4H (0.67) LTA4HDPP4ALDH1A1LMNAL3MBTL1
SCHEMBL21823759 0.79 LTA4H (0.71) LTA4HDPP4ALDH1A1LMNAL3MBTL1
SCHEMBL21386863 0.78 DPP4 (0.68) LTA4HDPP4ALDH1A1LMNAL3MBTL1
SCHEMBL2031590 0.78 DPP4 (0.68) LTA4HDPP4ALDH1A1LMNAL3MBTL1
SCHEMBL21608667 0.78 LTA4H (0.51) LTA4HDPP4ALDH1A1LMNAL3MBTL1
SCHEMBL4862372 0.76 LTA4H (0.62) LTA4HDPP4ALDH1A1LMNAL3MBTL1
SCHEMBL31619952 0.76 LTA4H (0.61) LTA4HDPP4ALDH1A1LMNAL3MBTL1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-05-15 — — US disclosed
US-8481696-B2 Glycosylated glycopeptide antibiotic derivatives SHIONOGI & CO., LTD. (JP) 2013-07-09 — — US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 — — US disclosed
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN (US) 2012-02-09 — — US disclosed
US-20100286364-A1 GLYCOSYLATED GLYCOPEPTIDE ANTIBIOTIC DERIVATIVES SHIONOGI & CO., LTD. (JP) 2010-11-11 — — US disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 — — US disclosed
US-7622452-B2 C-9 alkenylidine bridged macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-11-24 — — US disclosed
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 — — US disclosed
US-7419962-B2 3,6-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2008-09-02 — — US disclosed
US-7407942-B2 3,6-bridged 9,12-oxolides EMATA PHARMACEUTICALS, INC (US) 2008-08-05 — — US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 — — US disclosed
US-7291602-B2 11,12-lactone bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-11-06 — — US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 — — US disclosed
US-20070232554-A1 3,6-Bridged 9,12-oxolides ENATA PHARMACEUTICALS, INC. 2007-10-04 — — US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 — — US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 — — US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 — — US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 — — US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 — — US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 — — 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 (7 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-20140135485-A1 6-11 BICYCLIC KETOLIDE DERIVATIVES AKR1C2, AKR1C3, AKR1C1 LTA4H 414/4885DPP4 471/4885ALDH1A1 452/4885
US-20120035352-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 LTA4H 414/4885DPP4 471/4885ALDH1A1 452/4885
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 LTA4H 414/4885DPP4 471/4885ALDH1A1 452/4885
US-20100286364-A1 GLYCOSYLATED GLYCOPEPTIDE ANTIBIOTIC DERIVATIVES CSGALNACT1, OGT, GALNT1 LTA4H 3885/4885DPP4 205/4885ALDH1A1 724/4885
US-20070232554-A1 3,6-Bridged 9,12-oxolides CYP2C9, CYP2C19, CYP2D6 LTA4H 527/4885DPP4 419/4885ALDH1A1 353/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 LTA4H 414/4885DPP4 471/4885ALDH1A1 452/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA LTA4H 3219/4885DPP4 144/4885ALDH1A1 1055/4885

“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.