SCHEMBL13055320

SCHEMBL13055320

CCC(C)c1ccc(S(C)(=O)=O)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
S1PR1 P21453 1/20 0.38
PTGS2 P35354 3/20 0.37
CNR2 P34972 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
GLP1R P43220 1/20 0.36
PTGS1 P23219 1/20 0.36

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
SCHEMBL13995396 0.87 PTGDR2 (0.39) ALDH1A1MAPTPTGDR2
SCHEMBL807270 0.82 LMNA (0.47) LMNAGLAALDH1A1MAPTPTGS2
SCHEMBL23312355 0.80 PTGS2 (0.39) PTGS2PTGS1
SCHEMBL27709889 0.79 LMNA (0.45) LMNAGLAALDH1A1MAPTPTGS2
SCHEMBL13995391 0.76 KIF11 (0.43) PTGS2PTGS1
SCHEMBL16770543 0.74 TP53 (0.59) LMNA
SCHEMBL17069212 0.74 TP53 (0.59) LMNA
SCHEMBL2632875 0.74 TP53 (0.59) LMNA
SCHEMBL13180776 0.73 LMNA (0.39) LMNAALDH1A1MAPT
SCHEMBL7946495 0.73 LMNA (0.49) LMNAGLAALDH1A1MAPTPTGS2

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
US-7846980-B2 Anion-conducting polymer, composition, and membrane LOS ALAMOS NATIONAL SECURITY, LLC (US) 2010-12-07 US disclosed
US-20090318575-A1 ANION-CONDUCTING POLYMER, COMPOSITION, AND MEMBRANE LOS ALAMOS NATIONAL SECURITY, LLC (US) 2009-12-24 US disclosed
US-7582683-B2 Polymer backbone with attached sulfonium, phosphazenium, phosphazene, and guanidinium residues; stability to aqueous alkali include a support embedded with sulfonium, phosphazenium, and guanidinium salts; 4, 4'-dihydroxybiphenyl derivative and 4,4'-dihalobiphenyl derivative comonomers; electrochemistry LOS ALAMOS NATIONAL SECURITY, LLC (US) 2009-09-01 US disclosed
US-20090023845-A1 Anion-conducting polymer, composition, and membrane PIVOVAR BRYAN S 2009-01-22 US disclosed
US-20080312229-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
US-20080312229-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
WO-2007065683-A1 ARYL ACETIC ACID AND ESTER DERIVATIVES AND THEIR USES AS ANTIINFLAMMATORY NOVARTIS AG (CH) 2007-06-14 WO 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-20080312229-A1 Organic Compounds DRD4, DRD1, SLC10A6 LMNA 2494/4885GLA 2806/4885ALDH1A1 248/4885

“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.