SCHEMBL7042271

SCHEMBL7042271

CC(C)OC(=O)N1CSC[C@H]1C(=O)N[C@H](CCC1CCCCC1)C(=S)NCCNCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.48
HTT P42858 1/20 0.37
TACR1 P25103 3/20 0.36
SIGMAR1 Q99720 1/20 0.36
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
F12 P00748 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KLK7 P49862 1/20 0.34
PREP P48147 1/20 0.34
MMP2 P08253 1/20 0.34
MAPK14 Q16539 2/20 0.34
DDR1 Q08345 1/20 0.34
DDR2 Q16832 1/20 0.34
EPHX2 P34913 2/20 0.34
CTSK P43235 1/20 0.34
HTRA1 Q92743 1/20 0.34
MMP3 P08254 1/20 0.33

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
Hydrochloric Acid SCHEMBL5114400 0.99 CACNA1B (0.47) CACNA1BHTTTACR1SIGMAR1F2
SCHEMBL5110973 0.91 CACNA1B (0.46) CACNA1BHTTTACR1SIGMAR1
Bromide SCHEMBL5113742 0.90 CACNA1B (0.46) CACNA1BHTTTACR1SIGMAR1
Hydrochloric Acid SCHEMBL5125659 0.90 CACNA1B (0.46) CACNA1BHTTTACR1SIGMAR1
SCHEMBL7043913 0.89 CACNA1B (0.45) CACNA1BHTTTACR1SIGMAR1NPC1
Hydrochloric Acid SCHEMBL5110323 0.88 CACNA1B (0.45) CACNA1BHTTTACR1SIGMAR1NPC1
SCHEMBL7042268 0.84 CACNA1B (0.66) CACNA1BF2F10MMP2MMP3
Hydrochloric Acid SCHEMBL5114395 0.83 CACNA1B (0.65) CACNA1BF2F10MMP2MMP3
SCHEMBL7039299 0.82 CYP2C19 (0.44) CACNA1BSIGMAR1
Hydrochloric Acid SCHEMBL7205371 0.82 SMN1; SMN2 (0.44) CACNA1B

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
US-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 US claimed
EP-1090912-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-04-11 EP claimed
US-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them ONO PHARMACEUTICAL CO., LTD. 2003-12-18 US disclosed
EP-1090912-A1 AMINO ACID DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2001-04-11 EP 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-20030232806-A1 Amino acid derivatives and pharmaceutical composition comprising, as active ingredients, them CACNA1I, CACNA1S, CACNA1B CACNA1B 3/4885HTT 750/4885TACR1 1118/4885

“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.