SCHEMBL13965477

SCHEMBL13965477

Cc1cc(C)c2ccc(S(=O)(=O)O)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
HIF1A Q16665 1/20 0.50
SNCA P37840 2/20 0.49
CASP6 P55212 3/20 0.46
NSD2 O96028 2/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2A6 P11509 1/20 0.46
HSD17B10 Q99714 2/20 0.45
CYP2C19 P33261 1/20 0.45
PRMT1 Q99873 1/20 0.43
RAPGEF4 Q8WZA2 3/20 0.42
FFAR4 Q5NUL3 1/20 0.40
SUMO2 P61956 1/20 0.39
SUMO1 P63165 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP3 Q9H4L4 1/20 0.39

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
SCHEMBL1103769 0.89 CASP6 (0.53) ALDH1A1HIF1ASNCACASP6NSD2
SCHEMBL4299904 0.86 ALDH1A1 (0.47) ALDH1A1HIF1ASNCACASP6NSD2
SCHEMBL14703497 0.81 SNCA (0.45) ALDH1A1HIF1ASNCACASP6NSD2
SCHEMBL7037608 0.79 CASP6 (0.59) ALDH1A1HIF1ASNCACASP6NSD2
Ammonia Solution, Strong SCHEMBL28873814 0.77 CASP6 (0.57) ALDH1A1HIF1ASNCACASP6NSD2
SCHEMBL15180637 0.77 CASP6 (0.66) ALDH1A1HIF1ASNCACASP6NSD2
SCHEMBL4075108 0.77 SNCA (0.69) ALDH1A1HIF1ASNCACASP6NSD2
SCHEMBL14469865 0.76 ALDH1A1 (0.64) ALDH1A1HIF1ASNCACASP6NSD2
SCHEMBL12679249 0.76 ALDH1A1 (0.48) ALDH1A1HIF1ASNCACASP6NSD2
SCHEMBL889908 0.76 SNCA (0.62) ALDH1A1HIF1ASNCACASP6NSD2

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-9155760-B2 Method of prophylaxis of bacterial vaginosis STARPHARMA PTY LIMITED (AU) 2015-10-13 US disclosed
US-20150238557-A1 METHOD OF TREATMENT OR PROPHYLAXIS OF INFECTIONS OF THE EYE STARPHARMA PTY LIMITED (AU) 2015-08-27 US disclosed
US-20120295839-A1 METHOD OF TREATMENT AND PROPHYLAXIS OF BACTERIAL VAGINOSIS STARPHARMA PTY LIMITED (AU) 2012-11-22 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 (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-20150238557-A1 METHOD OF TREATMENT OR PROPHYLAXIS OF INFECTIONS OF THE EYE TLR9, TLR1, TLR3 ALDH1A1 1418/4885HIF1A 2304/4885SNCA 2829/4885
US-20120295839-A1 METHOD OF TREATMENT AND PROPHYLAXIS OF BACTERIAL VAGINOSIS PCNA, DDOST, TLR8 ALDH1A1 3736/4885HIF1A 1547/4885SNCA 4217/4885

“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.