SCHEMBL5100491

SCHEMBL5100491

O=C(O)c1ccc(S(=O)(=O)N2CCCC2)c(Cl)c1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.78
SMN1; SMN2 Q16637 3/20 0.67
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
ALDH1A1 P00352 3/20 0.60
LMNA P02545 1/20 0.60
MAPT P10636 1/20 0.57
IL1RN P18510 1/20 0.57
TP53 P04637 1/20 0.57
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 1/20 0.56
NPBWR1 P48145 1/20 0.56
MCHR1 Q99705 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
CNR2 P34972 1/20 0.53
TSHR P16473 1/20 0.51

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
SCHEMBL11711932 0.88 TDP1 (1.00) TDP1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL4715327 0.86 TDP1 (0.97) TDP1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL4717650 0.86 TDP1 (0.97) TDP1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL11819316 0.81 TDP1 (0.73) TDP1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL22499518 0.80 TDP1 (0.71) TDP1SMN1; SMN2LMNAMAPTIL1RN
SCHEMBL4743079 0.80 SMN1; SMN2 (1.00) TDP1SMN1; SMN2ALDH1A1LMNATP53
SCHEMBL11818635 0.80 TDP1 (0.71) TDP1SMN1; SMN2KMT2AMEN1MAPT
SCHEMBL4251116 0.79 TDP1 (0.69) TDP1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL4719951 0.79 SMN1; SMN2 (0.97) TDP1SMN1; SMN2KMT2AALDH1A1TP53
SCHEMBL11185044 0.79 MAPK1 (0.77) TDP1SMN1; SMN2KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-06-05 US disclosed
US-7326791-B2 Carboxylic acid amides, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-02-05 US disclosed
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 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-20080132496-A1 CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF, AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 TDP1 1525/4885SMN1; SMN2 3130/4885KMT2A 3087/4885

“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.