SCHEMBL5273133

SCHEMBL5273133

CC(C)Cc1ccc(OS(=O)(=O)Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
FAAH O00519 1/20 0.41
CXCR1 P25024 4/20 0.41
CXCR2 P25025 4/20 0.41
PTGS2 P35354 4/20 0.41
PTGS1 P23219 3/20 0.41
LMNA P02545 2/20 0.41
CYP2C9 P11712 2/20 0.41
AKR1C3 P42330 2/20 0.41
ALB P02768 1/20 0.41
ESR1 P03372 1/20 0.41
ALOX5 P09917 1/20 0.41
RARB P10826 1/20 0.41
ADRB3 P13945 1/20 0.41
NFKB1 P19838 1/20 0.41
HTR2A P28223 1/20 0.41
NR1I3 Q14994 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
CXCL8 P10145 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL5272433 0.85 ALDH1A1 (0.47) ALDH1A1CXCR1CXCR2PTGS2PTGS1
SCHEMBL22864844 0.83 PPARG (0.47) ALDH1A1CXCR1CXCR2PTGS2PTGS1
SCHEMBL5615781 0.82 ALDH1A1 (0.42) ALDH1A1FAAHCXCR1CXCR2PTGS2
SCHEMBL22623364 0.81 ALDH1A1 (0.45) ALDH1A1CXCR1CXCR2PTGS2PTGS1
SCHEMBL5272436 0.81 ALDH1A1 (0.45) ALDH1A1CXCR1CXCR2PTGS2PTGS1
SCHEMBL22864845 0.81 ALDH1A1 (0.45) ALDH1A1CXCR1CXCR2PTGS2PTGS1
SCHEMBL6458680 0.80 ALDH1A1 (0.44) ALDH1A1CXCR1CXCR2PTGS2PTGS1
SCHEMBL4535172 0.79 CXCR2 (0.48) ALDH1A1CXCR1CXCR2PTGS2PTGS1
SCHEMBL14063987 0.79 CA2 (0.45) ALDH1A1LMNASTS
Hydrogen Sulfide SCHEMBL27492503 0.77 CXCR2 (0.47) ALDH1A1CXCR1CXCR2PTGS2PTGS1

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-20070020384-A1 Environmentally benign crop protection agents CUTLER, ELIOT 2007-01-25 US disclosed
US-7108861-B1 Environmentally benign crop protection agents CERNOFINA, LLC (US) 2006-09-19 US disclosed
US-20010051274-A1 Antifouling compounds and uses thereof CERNOFINA, LLC 2001-12-13 US disclosed
EP-1115284-A1 ANTIFOULING AGENTS Phycogen, Inc. (US) 2001-07-18 EP disclosed
EP-1115289-A2 ENVIRONMENTALLY BENIGN CROP PROTECTION AGENTS Phycogen, Inc. (US) 2001-07-18 EP disclosed
WO-2000016632-A2 ENVIRONMENTALLY BENIGN CROP PROTECTION AGENTS PHYCOGEN, INC. (US) 2000-03-30 WO disclosed
WO-2000016623-A1 ANTIFOULING AGENTS PHYCOGEN, INC. (US) 2000-03-30 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-20070020384-A1 Environmentally benign crop protection agents CTSA, CNDP2, DDT ALDH1A1 2056/4885FAAH 1612/4885CXCR1 4801/4885

“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.