Sugi Predict

Sugi Predict / Compounds / SCHEMBL3452899

SCHEMBL3452899

SCHEMBL3452899

CC(CN(c1nc(-c2ccc(C(C)C)cc2)cs1)C1CCCC1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CPB1 P15086 1/20 0.43
▸ ITGB3 P05106 5/20 0.43
▸ ITGA2B P08514 5/20 0.43
▸ ALOX5 P09917 1/20 0.42
▸ IDO1 P14902 1/20 0.41
▸ MEN1 O00255 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GSTO1 P78417 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ USP30 Q70CQ3 2/20 0.39
▸ UCHL1 P09936 2/20 0.39
▸ PI4KB Q9UBF8 1/20 0.39
▸ KCNQ1 P51787 1/20 0.39

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
SCHEMBL3453130 0.86 CPB1 (0.48) CPB1ITGB3ITGA2BIDO1MEN1
SCHEMBL3452408 0.85 ITGB3 (0.56) CPB1ITGB3ITGA2BALOX5IDO1
SCHEMBL28760741 0.84 CPB1 (0.46) CPB1ITGB3ITGA2BIDO1MEN1
SCHEMBL3452784 0.84 ITGB3 (0.57) CPB1ITGB3ITGA2BALOX5MEN1
SCHEMBL3453944 0.83 ITGB3 (0.54) CPB1ITGB3ITGA2BALOX5MEN1
SCHEMBL13109543 0.82 ITGB3 (0.51) CPB1ITGB3ITGA2BALOX5MEN1
SCHEMBL3452602 0.82 ITGB3 (0.46) CPB1ITGB3ITGA2BALOX5MEN1
SCHEMBL3453237 0.81 ITGB3 (0.51) CPB1ITGB3ITGA2BALOX5MEN1
SCHEMBL3452512 0.81 CPB1 (0.46) CPB1ITGB3ITGA2BALOX5IDO1
SCHEMBL5159499 0.80 ITGB3 (0.49) CPB1ITGB3ITGA2BALOX5IDO1

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-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 — — US disclosed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 — — US disclosed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 — — US disclosed
CN-1946703-A Substituted thiazole and pyrimidine derivatives as melanocortin receptor modulators TRANSTECH PHARMA INC (US) 2007-04-11 — — CN disclosed
EP-1753735-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Transtech Pharma, Inc. (US) 2007-02-21 — — EP disclosed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 — — US disclosed
WO-2005103022-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS TRANSTECH PHARMA, INC. (US) 2005-11-03 — — 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-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R CPB1 2925/4885ITGB3 1281/4885ITGA2B 1854/4885

“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.