SCHEMBL10291997

SCHEMBL10291997

CNC(=O)N1CCc2cc(NSc3cc(Cl)cc(Cl)c3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
SYK P43405 1/20 0.46
NOTUM Q6P988 4/20 0.45
HTR2C P28335 5/20 0.43
HTR2A P28223 3/20 0.43
CREBBP Q92793 1/20 0.41
TRIM24 O15164 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 3/20 0.40
TP53 P04637 2/20 0.40
NFKB1 P19838 3/20 0.39
NFKB2 Q00653 3/20 0.39
RELA Q04206 3/20 0.39
PKM P14618 2/20 0.39
HTR2B P41595 2/20 0.39
PTPN11 Q06124 2/20 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
SCHEMBL11957193 0.87 ADRB2 (0.48) ADRB2ADRB1ADRB3SYKNOTUM
SCHEMBL10292258 0.86 NPC1 (0.56) HTR2CHTR2ANPC1RAB9ASMN1; SMN2
SCHEMBL11956918 0.83 TRIM24 (0.42) NOTUMTRIM24NPC1RAB9ASMN1; SMN2
SCHEMBL14088718 0.80 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL12852527 0.79 ADRB2 (0.58) ADRB2ADRB1ADRB3SYKNOTUM
SCHEMBL2844660 0.79 ADRB2 (0.66) ADRB2ADRB1ADRB3TRIM24SMN1; SMN2
SCHEMBL14088717 0.77 NPC1 (0.56) HTR2CHTR2ANPC1RAB9ASMN1; SMN2
SCHEMBL20905514 0.76 ADRB2 (0.56) ADRB2ADRB1ADRB3SYKNOTUM
SCHEMBL11956844 0.75 CREBBP (0.34) CREBBP
SCHEMBL5113702 0.75 ADRB2 (0.56) ADRB2ADRB1ADRB3SYKNOTUM

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-8232312-B2 Substituted arylsulphonylglycines, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
US-8211923-B2 Substituted arylsulfonylaminomethylphosphonic acid derivatives, their preparation and their use in the treatment of type I and II diabetes mellitus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-03 US disclosed
US-20100210595-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-08-19 US disclosed
US-20100130557-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-27 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 (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-20100210595-A1 SUBSTITUTED ARYLSULFONYLAMINOMETHYLPHOSPHONIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF TYPE I AND II DIABETES MELLITUS G6PC1, PYGL, PPP1CA ADRB2 3324/4885ADRB1 1318/4885ADRB3 2975/4885
US-20100130557-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 ADRB2 2181/4885ADRB1 544/4885ADRB3 1201/4885

“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.