SCHEMBL2709244

SCHEMBL2709244

O=C(Nc1ccccc1)C1CCCN1S(=O)(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.71
LMNA P02545 2/20 0.68
HCRTR1 O43613 6/20 0.67
HCRTR2 O43614 6/20 0.67
ALDH1A1 P00352 3/20 0.65
MMP2 P08253 2/20 0.64
MMP9 P14780 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
GAA P10253 1/20 0.64
MAPK1 P28482 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
KMT2A Q03164 1/20 0.63
TSHR P16473 2/20 0.62
FKBP1A P62942 1/20 0.61

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
SCHEMBL2707107 0.91 MAPK1 (0.77) BRD4LMNAHCRTR1HCRTR2ALDH1A1
SCHEMBL21378120 0.91 BRD4 (0.68) BRD4LMNAHCRTR1HCRTR2ALDH1A1
SCHEMBL21378119 0.91 BRD4 (0.68) BRD4LMNAHCRTR1HCRTR2ALDH1A1
SCHEMBL21378122 0.88 MMP2 (0.69) BRD4LMNAHCRTR1HCRTR2ALDH1A1
SCHEMBL2707719 0.86 HCRTR1 (0.80) BRD4LMNAHCRTR1HCRTR2KMT2A
SCHEMBL15682650 0.86 BRD4 (0.62) BRD4LMNAHCRTR1HCRTR2MMP2
SCHEMBL31609955 0.86 HCRTR1 (0.61) BRD4LMNAHCRTR1HCRTR2ALDH1A1
SCHEMBL20156010 0.84 MMP2 (0.66) BRD4LMNAALDH1A1MMP2MMP9
SCHEMBL3699168 0.84 HCRTR1 (0.78) BRD4LMNAHCRTR1HCRTR2SMN1; SMN2
SCHEMBL21397757 0.84 BRD4 (1.00) BRD4LMNAHCRTR1HCRTR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445870-B1 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES FOR THE IDENTIFICATION OF BIOLOGICAL AND PHARMACOLOGICAL ACTIVITY INST UNIV CIENCIA I TECNOLOGIA (ES) 2018-10-31 EP disclosed
US-8455660-B2 1-(sulfonyl)-N-phenylpyrrolidine-2-carboxamides for the identification of biological and pharmacological activity INSTITUT UNIV. DE CIENCIA I TECNOLOGIA, S.A. (ES) 2013-06-04 US disclosed
US-8455660-B2 1-(sulfonyl)-N-phenylpyrrolidine-2-carboxamides for the identification of biological and pharmacological activity INSTITUT UNIV. DE CIENCIA I TECNOLOGIA, S.A. (ES) 2013-06-04 US disclosed
US-20120142936-A1 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES FOR THE IDENTIFICATION OF BIOLOGICAL AND PHARMACOLOGICAL ACTIVITY AMIRA THERAPEUTICS, S.L. (ES) 2012-06-07 US disclosed
US-20120142936-A1 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES FOR THE IDENTIFICATION OF BIOLOGICAL AND PHARMACOLOGICAL ACTIVITY AMIRA THERAPEUTICS, S.L. (ES) 2012-06-07 US disclosed
US-20120122950-A1 LIBRARIES OF 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES FOR DRUG DISCOVERY INSTITUT UNIV. DE CIENCIA I TECNOLOGIA, S. A. (ES) 2012-05-17 US disclosed
US-20120122950-A1 LIBRARIES OF 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES FOR DRUG DISCOVERY INSTITUT UNIV. DE CIENCIA I TECNOLOGIA, S. A. (ES) 2012-05-17 US disclosed
US-20120122709-A1 LIBRARIES OF 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES FOR THE IDENTIFICATION OF BIOLOGICAL AND PHARMACOLOGICAL ACTIVITY INSTITUT UNIV. DE CIENCIA I TECNOLOGIA, S. A. (ES) 2012-05-17 US disclosed
US-20120122709-A1 LIBRARIES OF 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES FOR THE IDENTIFICATION OF BIOLOGICAL AND PHARMACOLOGICAL ACTIVITY INSTITUT UNIV. DE CIENCIA I TECNOLOGIA, S. A. (ES) 2012-05-17 US disclosed
EP-2452934-A1 N-PHENYL-1-SULFONYL-2-PYRROLIDINE CARBOXAMIDES LIBRARIES FOR THE IDENTIFICATION OF BIOLOGICAL AND PHARMACOLOGICAL ACTIVITY Institut Univ. de Ciència i Tecnologia, S.A. (ES) 2012-05-16 EP disclosed
EP-2447249-A1 N-PHENYL-1-SULFONYL-2-PYRROLIDINE CARBOXAMIDE LIBRARIES FOR DRUG DISCOVERY Institut Univ. de Ciència i Tecnologia, S.A. (ES) 2012-05-02 EP 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 (3 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-20120122709-A1 LIBRARIES OF 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES FOR THE IDENTIFICATION OF BIOLOGICAL AND PHARMACOLOGICAL ACTIVITY AADAC, NCS1, CATSPER1 BRD4 22/4885LMNA 3482/4885HCRTR1 1762/4885
US-20120122950-A1 LIBRARIES OF 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES FOR DRUG DISCOVERY NCS1, AADAC, CATSPER1 BRD4 8/4885LMNA 3968/4885HCRTR1 2232/4885
US-20120142936-A1 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES FOR THE IDENTIFICATION OF BIOLOGICAL AND PHARMACOLOGICAL ACTIVITY NCS1, CATSPER1, AADAC BRD4 12/4885LMNA 3071/4885HCRTR1 1970/4885

“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.