Sugi Predict

Sugi Predict / Compounds / SCHEMBL2901840

SCHEMBL2901840

SCHEMBL2901840

COC(=O)c1ccc(N(Cc2cncs2)c2ccc(C(=O)OC(C)(C)C)cc2)cc1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.35
▸ HPGD P15428 5/20 0.35
▸ MAPT P10636 4/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ KDM4E B2RXH2 7/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ NPY2R P49146 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ BUB1 O43683 1/20 0.33

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
SCHEMBL2908195 0.93 HDAC6 (0.34) ALDH1A1HPGDMAPTSMN1; SMN2LMNA
SCHEMBL2901912 0.92 KDM4E (0.35) ALDH1A1HPGDMAPTSMN1; SMN2KDM4E
SCHEMBL2905045 0.92 MKNK1 (0.38) ALDH1A1HPGDKDM4ELMNAPOLB
SCHEMBL3205143 0.91 ALDH1A1 (0.38) ALDH1A1HPGDMAPTKDM4ERAB9A
SCHEMBL3204089 0.86 TSHR (0.40) HPGDMAPTKDM4ENPC1TSHR
SCHEMBL3205815 0.86 HRH4 (0.38) ALDH1A1HPGDMAPTKDM4EKMT2A
SCHEMBL2908021 0.86 HTT (0.36) ALDH1A1MAPTKDM4ERAB9ALMNA
SCHEMBL3199311 0.85 RXRA (0.37) ALDH1A1HPGDMAPTKDM4ELMNA
SCHEMBL3215114 0.85 HDAC6 (0.36) ALDH1A1HPGDSMN1; SMN2KDM4ERAB9A
SCHEMBL3129127 0.85 POLB (0.36) ALDH1A1HPGDSMN1; SMN2KDM4ERAB9A

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-9150527-B2 Metalloenzyme inhibitor compounds INNOCRIN PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
US-9150527-B2 Metalloenzyme inhibitor compounds INNOCRIN PHARMACEUTICALS, INC. (US) 2015-10-06 — — US disclosed
US-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2014-10-09 — — US disclosed
EP-1692109-B1 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARM CORP (US) 2010-08-18 — — EP disclosed
EP-1692109-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS Memory Pharmaceuticals Corporation (US) 2006-08-23 — — EP disclosed
US-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs MEMORY PHARMACEUTICAL CORPORATION 2005-10-06 — — US disclosed
WO-2005061458-A2 PHOSPHODIESTERASE 4 INHIBITORS, INCLUDING N-SUBSTITUTED DIARYLAMINE ANALOGS MEMORY PHARMACEUTICALS CORPORATION (US) 2005-07-07 — — 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 (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-20050222207-A1 Phosphodiesterase 4 inhibitors, including N-substituted diarylamine analogs PDE4A, PDE4B, PDE3B ALDH1A1 300/4885HPGD 234/4885MAPT 4593/4885
US-20140303157-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO ALDH1A1 289/4885HPGD 571/4885MAPT 2507/4885

“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.