SCHEMBL5347342

SCHEMBL5347342

CCc1cc[c]c(S(=O)(=O)O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA2 P00918 1/20 0.33
METAP2 P50579 1/20 0.31
EGFR P00533 1/20 0.31
KAT6A Q92794 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
NOTUM Q6P988 1/20 0.30
HPGD P15428 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30
BCL2 P10415 1/20 0.30

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
Water SCHEMBL27667391 0.98 TRPA1 (0.34) TRPA1ALDH1A1LMNANPC1MAPT
SCHEMBL5644771 0.83 MAPT (0.35) TRPA1ALDH1A1LMNANPC1MAPT
SCHEMBL7041959 0.83 CA2 (0.40) ALDH1A1NPC1MAPK1RAB9ASMN1; SMN2
SCHEMBL5644069 0.81 CA2 (0.46) TRPA1ALDH1A1LMNANPC1MAPT
SCHEMBL28806349 0.81 CA1 (0.34) MAPTSMN1; SMN2CA2
SCHEMBL27958329 0.79
SCHEMBL1374635 0.75 SNCA (0.35) HSD17B10
SCHEMBL2212932 0.74 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1SMN1; SMN2L3MBTL1
SCHEMBL9776588 0.74 ALDH1A1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL4745042 0.72 LMNA (0.38) ALDH1A1LMNASMN1; SMN2HPGDHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169942-B2 agonists or antagonists; treatment for neuroinflammatory pathologies involving demyelinization, viral encephalitis, cerebrovascular accidents, cranial trauma, ocular disorders, pulmonary disorders, allergic diseases, inflammatory conditions, immune system disorders, central nervous system diseases, etc. UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2007-01-30 US claimed
US-20040242593-A1 Cannabinoid derivatives, methods of making, and use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2004-12-02 US claimed
US-20070167514-A1 Cannabinoid derivatives, methods of making, and use thereof UNIVERSTIY OF TENNESSEE RESEARCH FOUNDATION 2007-07-19 US disclosed
US-7169942-B2 agonists or antagonists; treatment for neuroinflammatory pathologies involving demyelinization, viral encephalitis, cerebrovascular accidents, cranial trauma, ocular disorders, pulmonary disorders, allergic diseases, inflammatory conditions, immune system disorders, central nervous system diseases, etc. UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2007-01-30 US disclosed
US-20040242593-A1 Cannabinoid derivatives, methods of making, and use thereof UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION 2004-12-02 US disclosed
CN-1034940-C Preparation process for new cephalosporin compound MEIJI SEIKA KAISHA (JP) 1997-05-21 CN 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-20040242593-A1 Cannabinoid derivatives, methods of making, and use thereof CNR2, CNR1, GPR18 TRPA1 1143/4885ALDH1A1 1919/4885LMNA 2624/4885
US-20070167514-A1 Cannabinoid derivatives, methods of making, and use thereof CNR2, CNR1, GPR18 TRPA1 1146/4885ALDH1A1 1939/4885LMNA 2534/4885

“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.