SCHEMBL17007485

SCHEMBL17007485

O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N2CCC(CCO)CC2)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 3/20 0.55
PKM P14618 3/20 0.55
EPHX2 P34913 1/20 0.52
POLB P06746 2/20 0.51
MEN1 O00255 2/20 0.51
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL17007424 0.81 ALOX5AP (0.48) KDM4EGAA
SCHEMBL17007440 0.81 KDM4E (0.56) KMT2AALDH1A1EPHX2MEN1KDM4E
SCHEMBL17007403 0.78 GAA (0.66) KMT2AALDH1A1PKMMEN1KDM4E
SCHEMBL13548648 0.78 NPC1 (0.69) KMT2ANPC1ALDH1A1PKMEPHX2
SCHEMBL17007431 0.78 LMNA (0.58) KMT2AALDH1A1EPHX2POLBMEN1
SCHEMBL21613830 0.78 MAPT (0.51) KMT2AALDH1A1PKMHTTGAA
SCHEMBL18177873 0.77 KMT2A (1.00) KMT2ANPC1ALDH1A1PKMPOLB
SCHEMBL17007502 0.76 ALOX5AP (0.40) KDM4EGAA
SCHEMBL2360974 0.76 ALDH1A1 (0.84) KMT2ANPC1ALDH1A1PKMPOLB
SCHEMBL2476278 0.74 ALDH1A1 (0.65) KMT2ANPC1ALDH1A1PKMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3044218-B1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS UNIV TEXAS (US) 2020-05-27 EP disclosed
US-10577344-B2 Therapeutics targeting truncated adenomatous polyposis coli (APC) proteins THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-03-03 US disclosed
US-10577344-B2 Therapeutics targeting truncated adenomatous polyposis coli (APC) proteins THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-03-03 US disclosed
US-20190135776-A1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 US disclosed
US-20190135776-A1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 US disclosed
US-9856233-B2 Therapeutics targeting truncated adenomatous polyposis coli (APC) proteins BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-01-02 US disclosed
US-9856233-B2 Therapeutics targeting truncated adenomatous polyposis coli (APC) proteins BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-01-02 US disclosed
EP-3044218-A2 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS Board Of Regents Of the University Of Texas System (US) 2016-07-20 EP disclosed
US-20150232444-A1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2015-08-20 US disclosed
US-20150232444-A1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2015-08-20 US disclosed
US-20150232444-A1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2015-08-20 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-20150232444-A1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS APC, VHL, TP53 KMT2A 2600/4885NPC1 1051/4885ALDH1A1 4595/4885
US-20190135776-A1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS APC, VHL, TP53 KMT2A 2600/4885NPC1 1051/4885ALDH1A1 4595/4885
US-10577344-B2 Therapeutics targeting truncated adenomatous polyposis coli (APC) proteins APC, VHL, TP53 KMT2A 2600/4885NPC1 1051/4885ALDH1A1 4595/4885

“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.