Sugi Predict

Sugi Predict / Compounds / SCHEMBL4800217

SCHEMBL4800217

SCHEMBL4800217

Nc1c(Cl)cc(C[C@@H](N)C(=O)O)cc1I

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 1/20 0.55
▸ THRB P10828 6/20 0.51
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ LMNA P02545 4/20 0.51
▸ THRA P10827 4/20 0.51
▸ PPARG P37231 3/20 0.51
▸ TTR P02766 2/20 0.51
▸ ADORA3 P0DMS8 2/20 0.51
▸ PDE4D Q08499 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ NR3C1 P04150 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ TBXA2R P21731 1/20 0.51
▸ NTSR1 P30989 1/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51

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
SCHEMBL4800230 1.00 SIRT5 (0.55) SIRT5THRBMEN1KMT2ALMNA
SCHEMBL7318580 0.89 SIRT5 (0.62) SIRT5THRBMEN1KMT2ALMNA
SCHEMBL14780576 0.89 SLC7A5 (0.53) SIRT5MEN1KMT2AADORA3HSD17B10
SCHEMBL7318588 0.89 SIRT5 (0.62) SIRT5THRBMEN1KMT2ALMNA
SCHEMBL5235272 0.81 THRB (0.40) SIRT5THRBMEN1KMT2ALMNA
SCHEMBL4800520 0.81 SLC7A5 (0.47) SIRT5THRBMEN1KMT2ATHRA
SCHEMBL4800531 0.81 SLC7A5 (0.47) SIRT5THRBMEN1KMT2ATHRA
SCHEMBL5287785 0.80 SIRT5 (0.64) SIRT5THRBMEN1KMT2ALMNA
SCHEMBL7270666 0.80 SIRT5 (0.64) SIRT5THRBMEN1KMT2ALMNA
SCHEMBL31369759 0.80 GRIA2 (0.59) SIRT5THRBMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439237-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 — — US disclosed
US-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 — — US disclosed
US-20050282857-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-22 — — 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 (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-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA SIRT5 4281/4885THRB 344/4885MEN1 593/4885
US-20050282857-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA SIRT5 4281/4885THRB 344/4885MEN1 593/4885

“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.