SCHEMBL17557154

SCHEMBL17557154

O=[N+]([O-])c1cc(-c2ccccc2S(=O)(=O)O)ccc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
MAPT P10636 3/20 0.39
DDX3X O00571 1/20 0.39
ALDH1A1 P00352 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL17557161 0.77 TTR (0.40) KMT2AMEN1MAPTDDX3XALDH1A1
SCHEMBL11647391 0.76 LMNA (0.48) KMT2AMEN1CA1CA2MMP1
SCHEMBL2007744 0.76 KMT2A (0.56) KMT2AMEN1CA1CA2MMP1
SCHEMBL2009412 0.75 ALDH1A1 (0.55) KMT2AMEN1CA1CA2MMP1
SCHEMBL31090824 0.74 CRHBP (0.58) PARP1KMT2AMEN1MAPTALDH1A1
SCHEMBL3184724 0.74 CRHBP (0.58) PARP1KMT2AMEN1MAPTALDH1A1
SCHEMBL10956293 0.73 ALDH1A1 (0.50) KMT2AMEN1CA1CA2MMP1
SCHEMBL14956674 0.71 KMT2A (0.56) KMT2AMEN1CA1CA2MMP1
SCHEMBL14956481 0.71 KMT2A (0.51) KMT2AMEN1MAPTALDH1A1
SCHEMBL63933 0.71 KMT2A (0.70) KMT2AMEN1CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220289744-A1 IMMUNOMODULATORS AND IMMUNOMODULATOR CONJUGATES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2022-09-15 US disclosed
US-11279701-B2 Immunomodulators and immunomodulator conjugates REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2022-03-22 US disclosed
US-20200325136-A1 IMMUNOMODULATORS AND IMMUNOMODULATOR CONJUGATES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2020-10-15 US disclosed
US-10730871-B2 Immunomodulators and immunomodulator conjugates REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2020-08-04 US disclosed
US-9884866-B2 Immunomodulators and immunomodulator conjugates REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-02-06 US disclosed
US-20170217960-A1 IMMUNOMODULATORS AND IMMUNOMODULATOR CONJUGATES REGENTS OF THE UNIVERSITY OF MINNESOTA 2017-08-03 US disclosed
US-20160068533-A1 IMMUNOMODULATORS AND IMMUNOMODULATOR CONJUGATES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-03-10 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 (6 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-10730871-B2 Immunomodulators and immunomodulator conjugates CD40, CD47, FCGRT PARP1 955/4885KMT2A 2234/4885MEN1 2185/4885
US-20220289744-A1 IMMUNOMODULATORS AND IMMUNOMODULATOR CONJUGATES CD47, IL2, ICOS PARP1 4248/4885KMT2A 1405/4885MEN1 3022/4885
US-20160068533-A1 IMMUNOMODULATORS AND IMMUNOMODULATOR CONJUGATES CD40, CD47, FCGRT PARP1 955/4885KMT2A 2234/4885MEN1 2185/4885
US-11279701-B2 Immunomodulators and immunomodulator conjugates IL2, CD47, FCGRT PARP1 3172/4885KMT2A 2100/4885MEN1 2321/4885
US-20170217960-A1 IMMUNOMODULATORS AND IMMUNOMODULATOR CONJUGATES CD47, CD40, HLA-DRB1 PARP1 929/4885KMT2A 2050/4885MEN1 2107/4885
US-20200325136-A1 IMMUNOMODULATORS AND IMMUNOMODULATOR CONJUGATES IL2, CD47, FCGRT PARP1 3172/4885KMT2A 2100/4885MEN1 2321/4885

“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.