SCHEMBL605143

SCHEMBL605143

Cc1ccc(S(=O)(=O)OC(CCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.43
CNR2 P34972 2/20 0.43
PLAU P00749 1/20 0.43
HPN P05981 1/20 0.43
KMT2A Q03164 1/20 0.42
CYP24A1 Q07973 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
CA12 O43570 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ATM Q13315 1/20 0.41
CA9 Q16790 1/20 0.41
FKBP1A P62942 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
SCHEMBL7441323 0.87 LMNA (0.51) ALDH1A1GAALMNACNR2PLAU
SCHEMBL7341952 0.86 PPARG (0.57) PPARGPPARAGAALMNA
SCHEMBL9450979 0.85 ALDH1A1 (0.41) ALDH1A1PPARGPPARAGAALMNA
SCHEMBL10615162 0.84 KMT2A (0.47) ALDH1A1PPARGPPARAGAAKMT2A
SCHEMBL9776582 0.84 KMT2A (0.47) ALDH1A1PPARGPPARAGAAKMT2A
SCHEMBL2325751 0.83 CA12 (0.44) ALDH1A1PPARGPPARAGAALMNA
SCHEMBL10572149 0.83 CA12 (0.44) ALDH1A1PPARGPPARAGAALMNA
SCHEMBL13369726 0.82 KMT2A (0.41) ALDH1A1PPARGLMNAKMT2AL3MBTL1
SCHEMBL28664196 0.82 ALDH1A1 (0.58) ALDH1A1GAACNR2KMT2ACYP24A1
SCHEMBL10525500 0.81 NPSR1 (0.40) ALDH1A1PPARGPPARAGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 US claimed
US-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2012-02-16 US disclosed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP disclosed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO disclosed
US-20070185346-A1 Kit for automated resolving agent selection and method thereof VAIDYA NITEEN A 2007-08-09 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-20120041225-A1 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF ACKR3, KIT, C3AR1 ALDH1A1 1235/4885PPARG 4330/4885PPARA 3818/4885

“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.