SCHEMBL1884748

SCHEMBL1884748

CCN(c1cccc(C(=O)/C=C/N(C)C)c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.53
▸ MAPT P10636 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ RECQL P46063 1/20 0.52
▸ RORC P51449 1/20 0.51
▸ ESR1 P03372 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ PKM P14618 1/20 0.47
▸ HSD17B10 Q99714 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ RAB9A P51151 1/20 0.45
▸ NR1I2 O75469 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ ALOX15 P16050 1/20 0.44

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
SCHEMBL1884750 1.00 ALDH1A1 (0.53) ALDH1A1MAPTGAASMN1; SMN2RECQL
SCHEMBL7364808 0.91 ALDH1A1 (0.47) ALDH1A1MAPTGAASMN1; SMN2RECQL
SCHEMBL4702502 0.91 ALDH1A1 (0.51) ALDH1A1MAPTGAASMN1; SMN2RECQL
SCHEMBL4702500 0.91 ALDH1A1 (0.51) ALDH1A1MAPTGAASMN1; SMN2RECQL
SCHEMBL7364803 0.91 ALDH1A1 (0.47) ALDH1A1MAPTGAASMN1; SMN2RECQL
SCHEMBL4704762 0.89 ESR1 (0.53) ALDH1A1MAPTGAASMN1; SMN2RECQL
SCHEMBL4704761 0.89 ESR1 (0.53) ALDH1A1MAPTGAASMN1; SMN2RECQL
SCHEMBL4704854 0.88 ESR1 (0.56) ALDH1A1MAPTGAASMN1; SMN2ESR1
SCHEMBL4704851 0.88 ESR1 (0.56) ALDH1A1MAPTGAASMN1; SMN2ESR1
SCHEMBL1880176 0.85 MAPT (0.53) ALDH1A1MAPTGAASMN1; SMN2RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947688-B2 N-[3-(3-substituted-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-sulfonamides, and compositions, and methods related thereto FERRER INTERNACIONAL, S.A. (ES) 2011-05-24 — — US disclosed
EP-1648897-B1 N- [3-(3-SUBSTITUTED-PYRAZOLO[1,5-A] PYRIMIDIN-7-YL) PHENYL]-SULFONAMIDES, AND COMPOSITIONS, AND METHODS RELATED THERETO FERRER INT (ES) 2008-12-10 — — EP disclosed
EP-1648896-B1 7-SUBSTITUTED 3-NITRO-PYRAZOLO [1,5-A] PYRIMIDINES FERRER INT (ES) 2008-02-13 — — EP disclosed
US-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines FERRER INTERNACIONAL S.A. (ES) 2007-02-22 — — US disclosed
US-20060270690-A1 N-[3-(3-substituted-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-sulfonamides, and compositions, and methods related thereto FERRER INTERNACIONAL S.A. (ES) 2006-11-30 — — 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-20070043064-A1 7-Substituted 3-nitro-pyrazo[1,5-a] pyrimidines GABRB1, GABRA1, GABRB2 ALDH1A1 113/4885MAPT 2772/4885GAA 1908/4885
US-20060270690-A1 N-[3-(3-substituted-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-sulfonamides, and compositions, and methods related thereto GABRA2, GABRA1, GABRA3 ALDH1A1 277/4885MAPT 3005/4885GAA 2574/4885

“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.

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