SCHEMBL4927893

SCHEMBL4927893

O=C(O)C(S)CCCC(S)CC(S)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.39
RNPEP Q9H4A4 1/20 0.38
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
FOLH1 Q04609 2/20 0.35
MME P08473 1/20 0.34
GRIK1 P39086 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
SCHEMBL3665671 0.79 KIF11 (0.55) KIF11RNPEPFOLH1
SCHEMBL34261 0.73 KIF11 (0.56) KIF11RNPEPFOLH1
SCHEMBL342180 0.69 CYP1A2 (0.41) KIF11FOLH1MME
SCHEMBL856139 0.69 CYP1A2 (0.41) KIF11FOLH1MME
SCHEMBL3185224 0.69 CPA3 (0.47) KIF11FOLH1
SCHEMBL3187688 0.69 CPA1 (0.44) KIF11MME
SCHEMBL5476409 0.69 RNPEP (0.68) RNPEPFOLH1
SCHEMBL19143400 0.67 GRIK1 (0.54) RNPEPFOLH1MMEGRIK1
SCHEMBL28130399 0.66 MAPT (0.41) KIF11MME
SCHEMBL3669845 0.66 ALDH1A1 (0.34) KIF11

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-2695614-B1 LIPOIC ACID DERIVATIVES CORNERSTONE PHARMACEUTICALS INC (US) 2017-07-05 EP disclosed
US-9150509-B2 Lipoic acid derivatives CORNERSTONE PHARMACEUTICALS, INC. (US) 2015-10-06 US disclosed
US-20140364502-A1 LIPOIC ACID DERIVATIVES CORNERSTONE PHARMACEUTICALS, INC. 2014-12-11 US disclosed
US-8785475-B2 Lipoic acid derivatives CORNERSTONE PHARMACEUTICALS, INC. (US) 2014-07-22 US disclosed
EP-2695614-A1 Lipoic acid derivatives Cornerstone Pharmaceuticals, Inc. (US) 2014-02-12 EP disclosed
EP-2139321-B1 LIPOIC ACID DERIVATIVES CORNERSTONE PHARMACEUTICALS INC (US) 2013-11-06 EP disclosed
US-20080262034-A1 selectively kill tumor cells by altering cancer cell metabolism and signal transduction pathways linked to the Warburg Effect; CORNERSTONE PHARMACEUTICALS, INC. 2008-10-23 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-20140364502-A1 LIPOIC ACID DERIVATIVES ALOX15, ALOX12, LIPC KIF11 4699/4885RNPEP 2080/4885GRM2 3854/4885
US-20080262034-A1 selectively kill tumor cells by altering cancer cell metabolism and signal transduction pathways linked to the Warburg Effect; DLD, SLC25A1, PDK2 KIF11 3871/4885RNPEP 4042/4885GRM2 3216/4885

“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.