SCHEMBL3202878

SCHEMBL3202878

CC(C)CCS(=O)(=O)c1cc[c]cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 4/20 0.44
MMP1 P03956 2/20 0.44
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 2/20 0.35
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
MMP14 P50281 1/20 0.33
PSIP1 O75475 1/20 0.33
HTT P42858 3/20 0.33
HSD17B10 Q99714 1/20 0.33
CA2 P00918 2/20 0.32
KMT2A Q03164 3/20 0.32
MMP8 P22894 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL3203643 0.80 MMP13 (0.39) MMP13MMP1ALDH1A1CYP3A4CYP2C9
SCHEMBL2448610 0.80 PSIP1 (0.56) MMP13MMP1ALDH1A1CYP2C9CYP2C19
SCHEMBL6825821 0.78 ALDH1A1 (0.64) MMP13MMP1ALDH1A1CYP3A4CYP2C9
SCHEMBL1960675 0.78 ALDH1A1 (0.42) MMP13ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL22404412 0.77 GAA (0.47) MMP13MMP1ALDH1A1CYP3A4CYP2C9
SCHEMBL29296547 0.77 NPC1 (0.49) MMP13MMP1ALDH1A1CYP3A4CYP2C9
SCHEMBL10258225 0.77 PLCG1 (0.55) MMP13MMP1ALDH1A1CYP3A4CYP2C9
SCHEMBL4014240 0.77 KMT2A (0.47) MMP13MMP1ALDH1A1CYP3A4CYP2C9
SCHEMBL29297466 0.77 MAPT (0.46) MMP13MMP1ALDH1A1CYP3A4CYP2C9
SCHEMBL29296587 0.76 CA2 (0.50) MMP13MMP1ALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678907-B2 Halogenation of rylen-carboximides with elementary halogen in a two-phase mixture comprising an organic solvent and water, wherein formed halogen hydroxide is continuously removable from the organic solvent BASF AKTIENGESSELLSCHAFT (DE) 2010-03-16 US disclosed
EP-1802622-B1 HALOGENATION OF RYLEN-CARBOXIMIDES WITH ELEMENTARY HALOGEN IN A TWO-PHASE MIXTURE COMPRISING AN ORGANIC SOLVENT AND WATER, WHEREIN FORMED HALOGEN HYDROCIDE IS CONTINUOUSLY REMOVABLE FROM THE ORGANIC SOLVENT BASF SE (DE) 2008-04-23 EP disclosed
US-20080058526-A1 Halogenation of Rylen-Carboximides with Elementary Halogene in a Two-Phase Mixture Comprising an Organic Solvent and Water, Wherein Formed Halogene Hydrocide is Continously Removable from the Organic Solvent BASF AKTIENGESELLSCHAFT (DE) 2008-03-06 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-20080058526-A1 Halogenation of Rylen-Carboximides with Elementary Halogene in a Two-Phase Mixture Comprising an Organic Solvent and Water, Wherein Formed Halogene Hydrocide is Continously Removable from the Organic Solvent CYP8B1, HACL2, CTRB2 MMP13 961/4885MMP1 82/4885ALDH1A1 1379/4885

“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.