SCHEMBL632037

SCHEMBL632037

O=S1(=O)[CH]c2ccccc2C1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.31
PARP1 P09874 1/20 0.30
CES1 P23141 1/20 0.30
MAOA P21397 1/20 0.30

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
SCHEMBL19194983 0.77 PARP1 (0.36) MEN1KMT2ACYP1A2PARP1
SCHEMBL4032757 0.73 TSHR (0.32) TSHRPARP1MAOA
SCHEMBL4872275 0.68 MEN1 (0.43) MEN1KMT2ACYP1A2
SCHEMBL255964 0.66 KMT2A (0.64) MEN1KMT2ACYP1A2TSHRCES1
SCHEMBL29657671 0.66 KMT2A (0.64) MEN1KMT2ACYP1A2TSHRCES1
SCHEMBL1653382 0.63 TRPA1 (0.35) MEN1KMT2A
SCHEMBL25757622 0.62 MEN1 (0.41) MEN1KMT2ACYP1A2TSHRCES1
SCHEMBL255961 0.57 MEN1 (0.46) MEN1KMT2ACYP1A2TSHRCES1
SCHEMBL2376272 0.57 GPR3 (0.42) MEN1KMT2A
SCHEMBL31028936 0.56 AHR (0.39) MEN1KMT2A

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 562 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236097-B2 11,13-modified saxitoxins for the treatment of pain SITEONE THERAPEUTICS, INC. (US) 2022-02-01 US claimed
US-20220009938-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. 2022-01-13 US claimed
EP-3860714-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN Siteone Therapeutics, Inc. (US) 2021-08-11 EP claimed
WO-2020072835-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2020-04-09 WO claimed
US-20200102318-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2020-04-02 US claimed
CN-110831945-A 11, 13-modified saxitoxins for the treatment of pain 赛特温治疗公司 2020-02-21 CN claimed
EP-3601291-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN Siteone Therapeutics, Inc. (US) 2020-02-05 EP claimed
WO-2018183781-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SITEONE THERAPEUTICS, INC. (US) 2018-10-04 WO claimed
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 US claimed
US-8404692-B2 Pyrimidin-4-yl-3, 4-dihydro-2H-pyrrolo [1,2A] pyrazin-1-one compounds CYCLACEL LIMITED (GB) 2013-03-26 US claimed
CN-101326188-A Pyrimidin-4-yl-3, 4-dihydro-2H-pyrrolo [1,2A ] pyrazin-1-one compounds CYCLACEL LTD (GB) 2008-12-17 CN claimed
EP-1981854-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2008-10-22 EP claimed
EP-1966141-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS Brystol-Myers Squibb Company (US) 2008-09-10 EP claimed
EP-1940846-A2 PYRIMIDIN-4-YL-3,4-DIHYDRO-2H-PYRROLO[1,2A]PYRAZIN-1-ONE COMPOUNDS Cyclacel Limited (GB) 2008-07-09 EP claimed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US claimed
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2008-05-22 US claimed
WO-2007070818-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed
WO-2007070816-A2 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed
WO-2007042784-A2 PYRIMIDIN-4-YL-3, 4-DIHYDR0-2H- PYRROLO [1, 2A] PYRAZIN-1-ONE COMPOUNDS CYCLACEL LIMITED (GB) 2007-04-19 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-11236097-B2 11,13-modified saxitoxins for the treatment of pain SCN11A, SCN10A, CACNA1A MEN1 3440/4885KMT2A 2484/4885CYP1A2 2635/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 MEN1 1706/4885KMT2A 235/4885CYP1A2 510/4885
US-20080119535-A1 AMINOMETHYL-4-IMIDAZOLES INMT, HTR4, MC4R MEN1 941/4885KMT2A 282/4885CYP1A2 212/4885
US-20200102318-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SCN11A, SCN10A, CACNA1A MEN1 3440/4885KMT2A 2484/4885CYP1A2 2635/4885
US-20220009938-A1 11,13-MODIFIED SAXITOXINS FOR THE TREATMENT OF PAIN SCN11A, SCN10A, SCN3A MEN1 2889/4885KMT2A 3816/4885CYP1A2 3012/4885

“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.