SCHEMBL3672467

SCHEMBL3672467

[CH2]CNS(=O)(=O)CCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
RELA Q04206 4/20 0.41
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 1/20 0.38
S1PR2 O95136 1/20 0.38
S1PR4 O95977 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
XBP1 P17861 1/20 0.38
S1PR1 P21453 1/20 0.38
AGTR1 P30556 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7446572 0.93 RELA (0.47) CA1CA2CA12CA7CA14
SCHEMBL4634744 0.91 RELA (0.50) CA2RELAALDH1A1MAPTLMNA
SCHEMBL3665831 0.85
SCHEMBL3665147 0.82 RELA (0.46) CA1CA2CA12CA7CA14
SCHEMBL2051122 0.80 RELA (0.49) CA1CA2CA12CA7CA14
SCHEMBL2010127 0.80 CA1 (0.44) CA1CA2CA12CA7CA14
SCHEMBL5689488 0.78 CA1 (0.52) CA1CA2CA12CA7CA14
SCHEMBL608990 0.78 CA1 (0.61) CA1CA2CA12CA7CA14
SCHEMBL497539 0.76
SCHEMBL1869756 0.76 CA1 (0.41) CA1CA2CA12CA7CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110392719-A The composition of the on-demand photocuring of blue-ray LED 3M创新有限公司 2019-10-29 CN disclosed
US-8754010-B2 Herbicidal mixtures BASF AKTIENGESELLSCHAFT (DE) 2014-06-17 US disclosed
US-20120302441-A1 HERBICIDAL MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2012-11-29 US disclosed
CN-101490135-B Fluorochemical composition comprising fluorinated oligomeric silane 3M INNOVATIVE PROPERTIES CO 2012-07-04 CN disclosed
EP-2215909-A2 HERBICIDAL MIXTURES BASF SE (DE) 2010-08-11 EP disclosed
CN-101490135-A Fluorochemical composition comprising fluorinated oligomeric silane 3M INNOVATIVE PROPERTIES CO (US) 2009-07-22 CN disclosed
CN-100507549-C Acoustic sensor comprising a layer and method of coating the acoustic sensor 3M INNOVATIVE PROPERTIES CO (US) 2009-07-01 CN disclosed
CN-1331902-C Dyed fluoropolymers 3M INNOVATIVE PROPERTIES CO (US) 2007-08-15 CN disclosed
CN-1922481-A Acoustic sensors and methods 3M INNOVATIVE PROPERTIES CO (US) 2007-02-28 CN disclosed
US-20060276341-A1 Herbicidal mixtures BASF AKTIENGESELLSCHAFT (DE) 2006-12-07 US disclosed
EP-1608222-A2 HERBICIDAL MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2005-12-28 EP disclosed
WO-2004080182-A2 HERBICIDAL MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2004-09-23 WO disclosed
EP-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 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 (2 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-20120302441-A1 HERBICIDAL MIXTURES RYR2, DDT, P2RX6 CA1 1241/4885CA2 272/4885CA12 3009/4885
US-20060276341-A1 Herbicidal mixtures RYR2, DDT, P2RX6 CA1 1324/4885CA2 279/4885CA12 2995/4885

“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.