SCHEMBL18487231

SCHEMBL18487231

Cc1ccc(S(=O)(=O)OCC2(C)CC/C=C\CCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
STAT3 P40763 1/20 0.35
CYP2C19 P33261 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
GAA P10253 1/20 0.33
VDR P11473 1/20 0.33
ALDH1A1 P00352 4/20 0.33
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
HPGD P15428 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL20421536 1.00 KMT2A (0.43) KMT2ASMN1; SMN2STAT3CYP2C19KEAP1
SCHEMBL3598688 0.88 KMT2A (0.50) KMT2ASMN1; SMN2STAT3CYP2C19KEAP1
SCHEMBL18213 0.88 KMT2A (0.54) KMT2ASMN1; SMN2STAT3CYP2C19KEAP1
SCHEMBL17902 0.87 KMT2A (0.53) KMT2ASMN1; SMN2STAT3CYP2C19KEAP1
SCHEMBL16641783 0.85 KMT2A (0.49) KMT2ASMN1; SMN2STAT3CYP2C19GAA
SCHEMBL17386324 0.78 KMT2A (0.42) KMT2ASMN1; SMN2STAT3CYP2C19GAA
SCHEMBL17005 0.78 KMT2A (0.42) KMT2ASMN1; SMN2STAT3CYP2C19GAA
SCHEMBL10171744 0.78 CYP3A4 (0.48) KMT2ASMN1; SMN2STAT3CYP2C19GAA
SCHEMBL17525344 0.78 ALDH1A1 (0.41) KMT2ASMN1; SMN2CYP2C19ALDH1A1POLB
SCHEMBL17385962 0.77 KMT2A (0.45) KMT2ASMN1; SMN2STAT3CYP2C19GAA

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
US-20200048407-A1 TELECHELIC PREPOLYMERS AND REACTION PRODUCTS THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA 2020-02-13 US disclosed
US-20180215865-A1 TELECHELIC PREPOLYMERS AND REACTION PRODUCTS THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-08-02 US disclosed
US-20180215865-A1 TELECHELIC PREPOLYMERS AND REACTION PRODUCTS THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-08-02 US disclosed
WO-2017023506-A1 TELECHELIC PREPOLYMERS AND REACTION PRODUCTS THEREOF REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-02-09 WO 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-20180215865-A1 TELECHELIC PREPOLYMERS AND REACTION PRODUCTS THEREOF DTYMK, DDOST, DDT KMT2A 4178/4885SMN1; SMN2 3790/4885STAT3 4600/4885
US-20200048407-A1 TELECHELIC PREPOLYMERS AND REACTION PRODUCTS THEREOF DTYMK, DDOST, DDT KMT2A 4178/4885SMN1; SMN2 3790/4885STAT3 4600/4885

“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.