SCHEMBL3210059

SCHEMBL3210059

O=C(Nc1cccc(S(=O)(=O)O)c1CCc1c(NC(=O)c2ccccc2)cccc1S(=O)(=O)O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MDM4 O15151 1/20 0.47
TP53 P04637 1/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
APEX1 P27695 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
MEN1 O00255 2/20 0.44
PKM P14618 2/20 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
SCHEMBL31520127 0.84 MDM4 (0.56) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL2893166 0.84 MDM4 (0.56) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL1339026 0.81 NPC1 (0.62) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL3210045 0.77 KMT2A (0.44) NPC1RAB9AHPGDAPEX1CA1
SCHEMBL6962126 0.74 MDM4 (0.56) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL6241585 0.74 TIMP3 (0.56) RAB9ACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12919715 0.74 TIMP3 (0.56) NPC1RAB9ACYP1A2CYP3A4CYP2D6
SCHEMBL10035663 0.74 SENP8 (0.55) NPC1RAB9AHDAC3HDAC1HDAC2
SCHEMBL31520132 0.73 CA1 (0.55) NPC1RAB9AHDAC3MAPK1HDAC1
SCHEMBL6226263 0.73 CA1 (0.75) MDM4TP53HDAC3MAPK1HDAC1

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 4 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
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
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 NPC1 1793/4885RAB9A 2077/4885CYP1A2 337/4885

“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.