Sugi Predict

Sugi Predict / Compounds / SCHEMBL1435950

SCHEMBL1435950

SCHEMBL1435950

COc1ccc(-c2ccc3c(c2)N(C[C@H](C)NC(=O)OC(C)(C)C)CC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ HDAC1 Q13547 3/20 0.39
▸ HDAC6 Q9UBN7 3/20 0.39
▸ HDAC8 Q9BY41 5/20 0.39
▸ HDAC3 O15379 2/20 0.38
▸ HDAC4 P56524 2/20 0.38
▸ HDAC7 Q8WUI4 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC10 Q969S8 2/20 0.38
▸ HDAC11 Q96DB2 2/20 0.38
▸ HDAC9 Q9UKV0 2/20 0.38
▸ HDAC5 Q9UQL6 2/20 0.38
▸ GHSR Q92847 1/20 0.38
▸ MMP8 P22894 2/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ CTSL P07711 2/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ SCN9A Q15858 1/20 0.37

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
SCHEMBL7677937 0.90 CTSK (0.45) ALDH1A1HDAC1HDAC6HDAC4CTSL
SCHEMBL7677943 0.90 CTSK (0.45) ALDH1A1HDAC1HDAC6HDAC4CTSL
SCHEMBL7677157 0.83 HDAC1 (0.43) LMNAALDH1A1HDAC1HDAC6CTSL
SCHEMBL7677151 0.83 HDAC1 (0.43) LMNAALDH1A1HDAC1HDAC6CTSL
SCHEMBL7673597 0.82 HTR2A (0.56) LMNAHDAC1HDAC6CTSLCTSB
SCHEMBL7674588 0.82 HTR2A (0.56) LMNAALDH1A1HDAC1HDAC6CTSL
SCHEMBL7674593 0.82 HTR2A (0.56) LMNAALDH1A1HDAC1HDAC6CTSL
SCHEMBL7673592 0.82 HTR2A (0.56) LMNAHDAC1HDAC6CTSLCTSB
SCHEMBL7677911 0.77 CTSS (0.42) LMNAALDH1A1CTSL
SCHEMBL7677907 0.77 CTSS (0.42) LMNAALDH1A1CTSL

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
EP-1441719-B1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS HOFFMANN LA ROCHE (CH) 2011-03-30 — — EP disclosed
US-7803819-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-09-28 — — US disclosed
US-7314884-B2 non-insulin dependent diabetes mellitus, and impaired glucose tolerance; dipeptidyl peptidase IV (DPP-IV) inhibitors eg (2S)-1-{[(1S)-2-(5-cyano-2-methyl-indol-1-yl)-1-methyl-ethylamino]-acetyl}-pyrrolidine-2-carbonitrile HOFFMANN-LA ROCHE INC. (US) 2008-01-01 — — US disclosed
US-20070259925-A1 DPP IV INHIBITORS BOEHRINGER MARKUS 2007-11-08 — — US disclosed
US-20050096348-A1 DPP IV inhibitors BOEHRINGER MARKUS (CH) 2005-05-05 — — US disclosed
US-6861440-B2 DPP IV inhibitors HOFFMANN-LA ROCHE INC. (US) 2005-03-01 — — US disclosed
US-20030130281-A1 DPP IV inhibitors HOFFMAN-LA ROCHE INC. 2003-07-10 — — 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 (3 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-20070259925-A1 DPP IV INHIBITORS DPP4, DPP3, DPP7 LMNA 4657/4885ALDH1A1 233/4885HDAC1 643/4885
US-20030130281-A1 DPP IV inhibitors DPP4, DPP3, DPP7 LMNA 4737/4885ALDH1A1 133/4885HDAC1 460/4885
US-20050096348-A1 DPP IV inhibitors DPP4, DPP3, DPP7 LMNA 4657/4885ALDH1A1 233/4885HDAC1 643/4885

“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.