SCHEMBL7597965

SCHEMBL7597965

Cc1cc(-c2ccccc2S(C)(=O)=O)c(CCC(C)(C)O)c(=O)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 5/20 0.35
BAZ2A Q9UIF9 4/20 0.35
BRD9 Q9H8M2 2/20 0.35
CTSG P08311 3/20 0.35
KLK7 P49862 3/20 0.35
KLK14 Q9P0G3 3/20 0.35
KLK5 Q9Y337 3/20 0.35
PRSS1 P07477 1/20 0.35
PTGS2 P35354 3/20 0.34
CTRC Q99895 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
MEN1 O00255 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
SCHEMBL7108266 0.66 PTGS2 (0.45) PTGS2
SCHEMBL13532126 0.63 CYP3A4 (0.56) PTGS2KDM4EMAPTHSD17B10ALOX15
SCHEMBL13532131 0.63 ESR1 (0.41) ALDH1A1KDM4EMAPTHIF1AHSD17B10
SCHEMBL17922579 0.61 HSD11B1 (0.47) BAZ2BBAZ2ABRD9PTGS2ALDH1A1
SCHEMBL8477421 0.58 KMT2A (0.45) BAZ2BBAZ2ABRD9CTSGKLK7
SCHEMBL6820364 0.58 CA2 (0.50) BAZ2BBAZ2ABRD9ALDH1A1KDM4E
SCHEMBL3019386 0.58 HSD11B1 (0.44) BAZ2BBAZ2ABRD9CTSGKLK7
SCHEMBL7097918 0.57 BAZ2B (0.46) BAZ2BBAZ2ABRD9ALDH1A1MAPT
SCHEMBL18618313 0.57 HSD11B1 (0.48) BAZ2BBAZ2ABRD9ALDH1A1KDM4E
SCHEMBL29588550 0.57 HSD11B1 (0.48) BAZ2BBAZ2ABRD9ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6465509-B2 FOR THERAPY AND PROPHYLAXIS OF INFLAMMATORY DISEASE SUSCEPTIBLE TO TREATMENT WITH A NON-STEROIDAL ANTI-INFLAMMATORY AGENT MERCK FROSST CANADA & CO. (CA) 2002-10-15 US disclosed
US-20020058690-A1 For therapy and prophylaxis of inflammatory disease susceptible to treatment with a non- steroidal anti-inflammatory agent MERCK FROSST CANADA LTD. (CA) 2002-05-16 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-20020058690-A1 For therapy and prophylaxis of inflammatory disease susceptible to treatment with a non- steroidal anti-inflammatory agent PTGS1, PTGES2, PTGS2 BAZ2B 4565/4885BAZ2A 4319/4885BRD9 4718/4885

“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.