SCHEMBL605142

SCHEMBL605142

Cc1ccc(S(=O)(=O)OC(C)C(=O)OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
MAPT P10636 1/20 0.52
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
ALDH1A1 P00352 3/20 0.45
ELANE P08246 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AR P10275 1/20 0.42
P2RX7 Q99572 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL23887826 1.00 LMNA (0.55) LMNAMAPTPSEN1PSEN2APH1B
SCHEMBL10641242 0.89 LMNA (0.47) LMNAMAPTPSEN1PSEN2APH1B
SCHEMBL11068240 0.87 LMNA (0.46) LMNAMAPTPSEN1PSEN2APH1B
SCHEMBL10641244 0.86 LMNA (0.47) LMNAMAPTPSEN1PSEN2APH1B
SCHEMBL304450 0.85 LMNA (0.54) LMNAMAPTPSEN1PSEN2APH1B
SCHEMBL2081536 0.83 KMT2A (0.47) LMNAMAPTCA1CA2ALDH1A1
SCHEMBL2325747 0.83 KMT2A (0.47) LMNAMAPTCA1CA2ALDH1A1
SCHEMBL7587366 0.83 KMT2A (0.47) LMNAMAPTCA1CA2ALDH1A1
SCHEMBL6924287 0.82 LMNA (0.51) LMNAMAPTCA1CA2GAA
SCHEMBL7441323 0.82 LMNA (0.51) LMNAMAPTPSEN1PSEN2APH1B

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 10 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
EP-4126819-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) Vertex Pharmaceuticals Incorporated (US) 2023-02-08 EP disclosed
WO-2021203028-A1 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 WO disclosed
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 LMNA 981/4885MAPT 4550/4885PSEN1 4871/4885

“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.