SCHEMBL7028070

SCHEMBL7028070

C#CCSc1n[nH]c(=O)n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 3/20 0.39
GRK2 P25098 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
PTGS2 P35354 4/20 0.38
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9414001 0.75 LMNA (0.49) HTTSMN1; SMN2POLBLMNAALDH1A1
SCHEMBL9414026 0.72 ALDH1A1 (0.47) HTTSMN1; SMN2POLBLMNAALDH1A1
SCHEMBL14505498 0.71 POLB (0.40) HTTRECQLSMN1; SMN2POLBGRK2
SCHEMBL7764668 0.66 TLR8 (0.33) HTTPOLBLMNAKMT2AMEN1
SCHEMBL16324245 0.66 POLB (0.34) HTTPOLBLMNACYP1A2KMT2A
SCHEMBL16363812 0.64 MAPT (0.44) HTTRECQLSMN1; SMN2POLBLMNA
SCHEMBL20152123 0.63 ALDH1A1 (0.64) HTTSMN1; SMN2POLBGRK2CTDSP1
SCHEMBL8631252 0.63 NOTUM (0.49) POLBLMNAALDH1A1KDM4EKMT2A
SCHEMBL11611099 0.61 PTGS2 (0.36) HTTRECQLSMN1; SMN2POLBGRK2
SCHEMBL762702 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0585970-A2 Substituted triazolinones BAYER AG (DE) 1994-03-09 EP claimed
EP-1344771-A1 2-alkoxy-phenylsulphonic acid derivatives as intermediates for herbicidal sulphonylamino(thio)carbonyl compounds Bayer CropScience AG (DE) 2003-09-17 EP disclosed
US-20030162979-A1 Substituted sulphonylamino(thio)carbonyl compounds MULLER KLAUS-HELMUT (DE) 2003-08-28 US disclosed
EP-0842157-B1 HERBICIDAL SULPHONYLAMINO(THIO)CARBONYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2003-08-27 EP disclosed
US-6525211-B1 Chemical intermediates BAYER AKTIENGESELLSCHAFT (DE) 2003-02-25 US disclosed
US-6441195-B1 2-ALKOXYCARBONYL-3-SULPHONAMIDE, SULPHONYL ISOCYANATE OR SULPHONYL ISOTHIOCYANATE-THIOPHENES; PRE- OR POSTEMERGENCE HERBICIDES; EFFICIENCY BAYER AKTIENGESELLSCHAFT (DE) 2002-08-27 US disclosed
EP-0859774-B1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 2002-04-03 EP disclosed
US-6180567-B1 REACTING 2-ALKOXYCARBONYL-BENZENESULFONAMIDE DERIVATIVE WITH 1,2,4-(1H)TRIAZOLE-5-(THI)ONE DERIVATIVE BAYER AKTIENGESELLSCHAFT (DE) 2001-01-30 US disclosed
EP-0859774-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 1998-08-26 EP disclosed
EP-0842157-A1 HERBICIDAL SULPHONYLAMINO(THIO)CARBONYL COMPOUNDS BAYER AG (DE) 1998-05-20 EP disclosed
WO-1997016449-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-05-09 WO disclosed
WO-1997003056-A1 HERBICIDAL SULPHONYLAMINO(THIO)CARBONYL COMPOUNDS BAYER AKTIENGESELLSCHAFT (DE) 1997-01-30 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 (1 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-20030162979-A1 Substituted sulphonylamino(thio)carbonyl compounds CBR3, CTH, CBR1 HTT 1144/4885RECQL 1875/4885SMN1; SMN2 2849/4885

“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.