SCHEMBL19851244

SCHEMBL19851244

O=S(=O)(O)OCCS(=O)(=O)c1ccc(I)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.41
MMP1 P03956 3/20 0.41
CA1 P00915 3/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP8 P22894 2/20 0.41
MMP13 P45452 2/20 0.41
F2 P00734 3/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL10787889 0.85 MMP2 (0.47) CA2MMP1MMP2MMP9MMP13
SCHEMBL10700258 0.85 LMNA (0.45) CA2MMP1MMP2MMP8MMP13
SCHEMBL25986733 0.84 ALDH1A1 (0.40) MMP2MMP9F2PRSS1PRSS2
SCHEMBL8818862 0.81 CA2 (0.39) CA2MMP1MMP2MMP8MMP13
SCHEMBL314732 0.81 TSHR (0.50) CA2MMP1CA1MMP2MMP9
SCHEMBL2685459 0.81 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL1171141 0.81 HSD11B1 (0.50) MMP1MMP2MMP8MMP13ALDH1A1
SCHEMBL25986473 0.80 SMN1; SMN2 (0.38) CA2CA1ALDH1A1HTTLMNA
SCHEMBL9780984 0.79 PSIP1 (0.55) CA2CA1MMP2MMP9MMP8
SCHEMBL10766564 0.79 HTT (0.61) CA2MMP1CA1MMP2MMP9

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-2861673-B1 METAL FREE REACTIVE DYES, PROCESS FOR THE PRODUCTION THEREOF AND THEIR USE DYSTAR COLOURS DISTRIB GMBH (DE) 2023-08-09 EP disclosed
US-11155568-B2 Bioadhesives NUTECH VENTURES (US) 2021-10-26 US disclosed
US-20200095270-A1 METHODS OF MAKING AND USING LIGNIN DERIVATIVES NUTECH VENTURES 2020-03-26 US disclosed
US-20180037598-A1 METHODS OF MAKING AND USING LIGNIN DERIVATIVES BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA 2018-02-08 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 (3 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-11155568-B2 Bioadhesives EPCAM, VCAM1, SELP CA2 4351/4885MMP1 370/4885CA1 3594/4885
US-20200095270-A1 METHODS OF MAKING AND USING LIGNIN DERIVATIVES HLCS, LOX, DCXR CA2 4569/4885MMP1 258/4885CA1 3925/4885
US-20180037598-A1 METHODS OF MAKING AND USING LIGNIN DERIVATIVES HLCS, LOX, DCXR CA2 4569/4885MMP1 258/4885CA1 3925/4885

“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.