SCHEMBL12626953

SCHEMBL12626953

O=C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
PARL Q9H300 1/20 0.61
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 2/20 0.60
HTT P42858 1/20 0.55
RECQL P46063 1/20 0.55
HSD11B1 P28845 1/20 0.53
HSP90AA1 P07900 1/20 0.51
MEN1 O00255 1/20 0.49
EPHX2 P34913 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
Ethylene SCHEMBL8377931 0.97 KMT2A (0.59) KMT2APARLALDH1A1SMN1; SMN2LMNA
SCHEMBL1519692 0.88 ALDH1A1 (0.69) KMT2APARLALDH1A1SMN1; SMN2LMNA
SCHEMBL25331730 0.85 ALDH1A1 (0.58) KMT2APARLALDH1A1SMN1; SMN2LMNA
SCHEMBL7485956 0.84 ALDH1A1 (0.79) KMT2AALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL21681941 0.84 ALDH1A1 (0.74) KMT2APARLALDH1A1SMN1; SMN2LMNA
SCHEMBL17007457 0.83 LMNA (0.76) KMT2AALDH1A1LMNAHTTMEN1
SCHEMBL3691866 0.83 ALDH1A1 (0.82) KMT2AALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL3916198 0.83 PARL (0.60) KMT2APARLALDH1A1SMN1; SMN2LMNA
SCHEMBL1269605 0.83 ALDH1A1 (0.82) KMT2AALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL16912996 0.81 EPHX2 (0.63) KMT2APARLALDH1A1SMN1; SMN2LMNA

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 34 patents — showing the first 20. 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
CN-109053565-A Asymmetric pyridine-piperidines ketone compound and preparation method thereof that N- benzenesulfonyl replaces 滨州医学院 2018-12-21 CN 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-2488177-B1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS INC (US) 2016-10-12 EP disclosed
US-20160251374-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC BURNS BARBIER LINDSAY (US) 2016-09-01 US disclosed
US-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 US disclosed
US-20110105487-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS 2011-05-05 US disclosed
US-20110105487-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS 2011-05-05 US disclosed
US-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS 2011-05-05 US disclosed
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 US disclosed
US-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS 2011-05-05 US disclosed
US-20100280057-A1 NOVEL ANALGESIC THAT BINDS FILAMIN A BURNS BARBIER LINDSAY 2010-11-04 US disclosed
US-20100280057-A1 NOVEL ANALGESIC THAT BINDS FILAMIN A BURNS BARBIER LINDSAY 2010-11-04 US disclosed
WO-2010051497-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC PAIN THERAPEUTICS, INC. (US) 2010-05-06 WO disclosed
WO-2010051476-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS, INC. (US) 2010-05-06 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 (8 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-20160251374-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 KMT2A 3222/4885PARL 4495/4885ALDH1A1 2575/4885
US-20110105487-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, FPR1 KMT2A 2793/4885PARL 4625/4885ALDH1A1 3041/4885
US-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 KMT2A 2536/4885PARL 4809/4885ALDH1A1 2702/4885
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 KMT2A 2536/4885PARL 4809/4885ALDH1A1 2702/4885
US-20190135776-A1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS APC, VHL, TP53 KMT2A 2600/4885PARL 1248/4885ALDH1A1 4595/4885
US-20100280057-A1 NOVEL ANALGESIC THAT BINDS FILAMIN A FLNA, OPRL1, FLNB KMT2A 3518/4885PARL 3825/4885ALDH1A1 1689/4885
US-20110105481-A1 FILAMIN A BINDING ANTI-INFLAMMATORY AND ANALGESIC FLNA, FLNB, OPRK1 KMT2A 3222/4885PARL 4495/4885ALDH1A1 2575/4885
US-10577344-B2 Therapeutics targeting truncated adenomatous polyposis coli (APC) proteins APC, VHL, TP53 KMT2A 2600/4885PARL 1248/4885ALDH1A1 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.