SCHEMBL6231027

SCHEMBL6231027

O=C(O)c1ccccc1SCCCSc1ccccc1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.67
POLB P06746 4/20 0.61
RAB9A P51151 5/20 0.61
LPAR2 Q9HBW0 1/20 0.56
LPAR3 Q9UBY5 1/20 0.56
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
NPC1 O15118 3/20 0.53
GAA P10253 1/20 0.53
HSP90AA1 P07900 1/20 0.53
PTPRG P23470 1/20 0.51
ALDH1A1 P00352 5/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL6232508 0.96 CYP1A2 (0.67) CYP1A2POLBRAB9ALPAR2LPAR3
SCHEMBL6234990 0.94 CYP1A2 (0.65) CYP1A2POLBRAB9ALPAR2LPAR3
SCHEMBL6234337 0.94 CYP1A2 (0.65) CYP1A2POLBRAB9ALPAR2LPAR3
SCHEMBL6232914 0.94 CYP1A2 (0.65) CYP1A2POLBRAB9ALPAR2LPAR3
SCHEMBL6232251 0.94 CYP1A2 (0.65) CYP1A2POLBRAB9ALPAR2LPAR3
SCHEMBL6231914 0.92 CYP1A2 (0.71) CYP1A2POLBRAB9ALPAR2LPAR3
SCHEMBL19617825 0.91 CYP1A2 (0.61) CYP1A2POLBRAB9ALPAR2LPAR3
SCHEMBL14383516 0.89 CYP1A2 (0.59) CYP1A2POLBRAB9ALPAR2LPAR3
SCHEMBL8784638 0.89 CYP1A2 (0.59) CYP1A2POLBRAB9ALPAR2LPAR3
SCHEMBL8772327 0.89 CYP1A2 (0.59) CYP1A2POLBRAB9ALPAR2LPAR3

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-1282397-B1 USE OF COMPOUNDS CONTAINING A THIO-ETHER, SULPHOXIDE OR SULPHONE FUNCTION AS COSMETIC ANTI-POLLUTION AGENT OREAL (FR) 2005-05-04 EP claimed
US-20040037856-A1 Use of compounds containing a thio-ether, sulphoxide or sulphone function as cosmetic anti-pollution agent L'OREAL (FR) 2004-02-26 US claimed
US-20040037856-A1 Use of compounds containing a thio-ether, sulphoxide or sulphone function as cosmetic anti-pollution agent L'OREAL (FR) 2004-02-26 US disclosed
US-4331656-A Composition and process for reducing the oily appearance of the hair and skin L'OREAL (FR) 1982-05-25 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-20040037856-A1 Use of compounds containing a thio-ether, sulphoxide or sulphone function as cosmetic anti-pollution agent TST, STS, MPST CYP1A2 1496/4885POLB 1334/4885RAB9A 4120/4885

“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.