SCHEMBL5162663

SCHEMBL5162663

CC1CCC(Oc2ccc(-c3csc(N(CCC(=O)O)C4CCCC4)n3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.51
ITGA2B P08514 4/20 0.51
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PI4KB Q9UBF8 2/20 0.41
KMT2A Q03164 8/20 0.41
MEN1 O00255 7/20 0.41
TRPA1 O75762 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 2/20 0.38
GSTO1 P78417 1/20 0.38
RAD52 P43351 1/20 0.38
HTT P42858 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL3452387 1.00 ITGB3 (0.51) ITGB3ITGA2BALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL3451910 0.99 ITGB3 (0.51) ITGB3ITGA2BALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL3451912 0.99 ITGB3 (0.51) ITGB3ITGA2BALDH1A1LMNAMAPT
SCHEMBL13109489 0.92 ITGB3 (0.54) ITGB3ITGA2BALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL3452144 0.92 ITGB3 (0.54) ITGB3ITGA2BALDH1A1LMNAMAPT
SCHEMBL13109486 0.90 ITGB3 (0.49) ITGB3ITGA2BALDH1A1LMNAMAPT
SCHEMBL3451704 0.89 GSTO1 (0.42) ITGB3ITGA2BALDH1A1LMNAMAPT
SCHEMBL3451702 0.89 GSTO1 (0.42) ITGB3ITGA2BALDH1A1LMNAMAPT
SCHEMBL13109500 0.89 ITGB3 (0.51) ITGB3ITGA2BALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL3452312 0.88 ITGB3 (0.51) ITGB3ITGA2BALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1753735-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Transtech Pharma, Inc. (US) 2007-02-21 EP claimed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 US claimed
WO-2005103022-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS TRANSTECH PHARMA, INC. (US) 2005-11-03 WO claimed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 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 (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 ITGB3 1281/4885ITGA2B 1854/4885ALDH1A1 1513/4885

“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.