SCHEMBL3206476

SCHEMBL3206476

O=C(Nc1ccccc1S(=O)(=O)O)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
TRPV1 Q8NER1 1/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 7/20 0.48
CYP1A2 P05177 3/20 0.48
MAPT P10636 2/20 0.47
RAD51 Q06609 2/20 0.46
KDM4E B2RXH2 4/20 0.46
GAA P10253 3/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.46
ATM Q13315 1/20 0.46
MAOB P27338 1/20 0.46
THRB P10828 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL28698992 0.86 CA1 (0.56) KMT2AMEN1
SCHEMBL20379649 0.84 HTR6 (0.53) KMT2AMEN1TRPV1RAB9ANPC1
SCHEMBL3195371 0.83 ALDH1A1 (0.49) KMT2AMEN1TRPV1RAB9ANPC1
SCHEMBL18691849 0.78 KMT2A (0.46) KMT2AMEN1TRPV1RAB9ANPSR1
SCHEMBL19985019 0.78 CASR (0.50) KMT2AMEN1TRPV1ALDH1A1MAPT
SCHEMBL10893116 0.77 CA2 (0.54) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL8154848 0.76 TRPV1 (0.66) KMT2AMEN1TRPV1RAB9ANPC1
SCHEMBL1641651 0.76 KMT2A (0.55) KMT2AMEN1TRPV1RAB9ANPC1
SCHEMBL7297478 0.75 CA1 (0.50) KDM4EGAA
SCHEMBL20379791 0.75 TSHR (0.51) KMT2AMEN1TRPV1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2067770-B1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER WAKO PURE CHEM IND LTD (JP) 2017-04-12 EP disclosed
CN-101511782-B Process for production of sulfonic acid ester WAKO PURE CHEMICAL INDUSTRY CO LTD 2013-08-07 CN disclosed
US-8269038-B2 Process for production of sulfonic acid ester WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2012-09-18 US disclosed
US-20100041916-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2010-02-18 US disclosed
CN-101511782-A Process for production of sulfonic acid ester WAKO PURE CHEM IND LTD (JP) 2009-08-19 CN disclosed
EP-2067770-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER Wako Pure Chemical Industries, Ltd. (JP) 2009-06-10 EP 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-20100041916-A1 PROCESS FOR PRODUCTION OF SULFONIC ACID ESTER SULT1A1, SULT2A1, STS KMT2A 3198/4885MEN1 3623/4885TRPV1 1855/4885

“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.