SCHEMBL6599392

SCHEMBL6599392

O=C(CS(=O)(=O)O)N1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 1/20 0.47
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
BPTF Q12830 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL7243189 0.80 L3MBTL1 (0.53) SMN1; SMN2POLBALDH1A1HSD17B10HTT
SCHEMBL11241398 0.77 ALDH1A1 (0.49) SMN1; SMN2POLBATMALDH1A1HSD17B10
SCHEMBL12520053 0.77 ALDH1A1 (0.53) SMN1; SMN2POLBATMALDH1A1HSD17B10
SCHEMBL8827563 0.76 TSHR (0.45) SMN1; SMN2POLBALDH1A1HSD17B10HTT
SCHEMBL12667884 0.74 SMN1; SMN2 (0.44) SMN1; SMN2POLBATMALDH1A1HSD17B10
SCHEMBL14349488 0.69 ATM (0.59) SMN1; SMN2ATMALDH1A1HTTL3MBTL1
SCHEMBL423971 0.69
SCHEMBL423972 0.69
SCHEMBL9040661 0.67 ATM (0.56) SMN1; SMN2POLBATMALDH1A1L3MBTL1
SCHEMBL429744 0.67 ATM (0.56) SMN1; SMN2POLBATMALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608052-B2 An mono or polycyclic aromatic or heteroaromatic carbamate or urea or thiacarbamoyl derivatives; inhibit production of cytokines involved in inflammatory processes BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 US claimed
US-20020032195-A1 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-14 US claimed
EP-1381594-A1 UREA COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-01-21 EP disclosed
US-6608052-B2 An mono or polycyclic aromatic or heteroaromatic carbamate or urea or thiacarbamoyl derivatives; inhibit production of cytokines involved in inflammatory processes BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 US disclosed
WO-2002083642-A1 COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-10-24 WO disclosed
US-20020032195-A1 Compounds useful as anti-inflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-14 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 (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-20020032195-A1 Compounds useful as anti-inflammatory agents MPO, EPX, PTGES SMN1; SMN2 4600/4885POLB 2563/4885ATM 2374/4885

“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.