Sugi Predict

Sugi Predict / Compounds / SCHEMBL4312441

SCHEMBL4312441

SCHEMBL4312441

COc1c(C(C)(C)C)cc(-c2nc(C3CCN(C(=O)Cc4nc(CC(=O)O)cs4)CC3)sc2Cl)cc1C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ GAA P10253 2/20 0.35
▸ UBE2M P61081 3/20 0.34
▸ DCUN1D1 Q96GG9 3/20 0.34
▸ SHMT1 P34896 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPT P10636 6/20 0.34
▸ TP53 P04637 3/20 0.34
▸ POLB P06746 3/20 0.34
▸ LMNA P02545 4/20 0.33
▸ HTT P42858 4/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ F2 P00734 1/20 0.32
▸ F10 P00742 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.31
▸ TLR8 Q9NR97 1/20 0.31

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
SCHEMBL13807663 0.91 MAPT (0.38) ALDH1A1HPGDGAAUBE2MDCUN1D1
SCHEMBL4320850 0.86 MAPT (0.34) ALDH1A1UBE2MDCUN1D1MAPTTP53
SCHEMBL4314441 0.84 CCR1 (0.34) UBE2MDCUN1D1SHMT1MAPTTP53
SCHEMBL4311551 0.81 MAPT (0.33) ALDH1A1GAASHMT1HSD17B10MAPT
SCHEMBL4310833 0.81 TP53 (0.33) UBE2MDCUN1D1MAPTTP53POLB
SCHEMBL4317943 0.80 TP53 (0.33) UBE2MDCUN1D1SHMT1MAPTTP53
SCHEMBL4307513 0.79 CCR1 (0.34) UBE2MDCUN1D1MAPTTP53POLB
SCHEMBL14495645 0.79 SMN1; SMN2 (0.34) ALDH1A1KDM4EHPGDUBE2MDCUN1D1
SCHEMBL13807671 0.79 TP53 (0.33) ALDH1A1KDM4EHPGDUBE2MDCUN1D1
SCHEMBL13807668 0.79 TP53 (0.33) ALDH1A1KDM4EHPGDUBE2MDCUN1D1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 — — US claimed
EP-1957076-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-08-20 — — EP claimed
WO-2007064553-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-07 — — WO claimed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 — — US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 — — US disclosed
US-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2009-06-04 — — US disclosed
WO-2007064553-A2 THIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-07 — — 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-20090143413-A1 Thiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CX3CR1 ALDH1A1 952/4885KDM4E 4624/4885HPGD 944/4885

“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.