Sugi Predict

Sugi Predict / Compounds / SCHEMBL1870231

SCHEMBL1870231

SCHEMBL1870231

Cc1ccc(S(=O)(=O)N(C)C(CNC(=O)OC(C)(C)C)CC2(O)CCCCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ AGER Q15109 1/20 0.35
▸ CA12 O43570 6/20 0.34
▸ CA1 P00915 6/20 0.34
▸ CA2 P00918 6/20 0.34
▸ CA9 Q16790 6/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NR1D1 P20393 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ GFER P55789 1/20 0.32

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
SCHEMBL1870229 0.81 PSEN1 (0.39) ALDH1A1HPGDAGERMEN1KMT2A
SCHEMBL1862267 0.80 MMP13 (0.39) ALDH1A1HPGDCA12CA1CA2
SCHEMBL12631985 0.79 EPHX1 (0.36) MEN1KMT2A
SCHEMBL1868241 0.77 AGER (0.39) ALDH1A1HPGDAGERKMT2ANPSR1
SCHEMBL12670096 0.74 AGER (0.47) ALDH1A1HPGDAGERCA12CA9
SCHEMBL1863476 0.71 MMP13 (0.38) ALDH1A1CA1CA2CA9MEN1
SCHEMBL8271182 0.69 EPHX1 (0.38) MAOAMAOBMEN1KMT2A
SCHEMBL22952575 0.69 CA2 (0.43) ALDH1A1CA12CA1CA2CA9
SCHEMBL1862729 0.68 EPHX1 (0.37) MAOAMAOBMEN1KMT2A
SCHEMBL24391429 0.68 CA2 (0.42) ALDH1A1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 — — US disclosed
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 — — US disclosed
US-8455521-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2013-06-04 — — US disclosed
CN-101072561-B Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS INC 2011-05-11 — — CN disclosed
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 — — US disclosed
US-20110105506-A1 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. 2011-05-05 — — US disclosed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 — — US disclosed
US-7754737-B2 Diaminoalkane aspartic protease inhibitors VITAE PHARMACEUTICALS, INC. (US) 2010-07-13 — — US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 — — US disclosed
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors VITAE PHARMACEUTICAL, INC (US) 2009-01-15 — — US disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 — — 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-20110105506-A1 Diaminoalkane aspartic protease inhibitors DNPEP, PEPD, ACE ALDH1A1 587/4885HPGD 712/4885MAOA 801/4885
US-20090018103-A1 Diaminoalkane Aspartic Protease Inhibitors DNPEP, PEPD, ACE ALDH1A1 587/4885HPGD 712/4885MAOA 801/4885

“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.