SCHEMBL866626

SCHEMBL866626

CS(=O)(=O)Nc1cccc(C(=O)CBr)c1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.46
TSHR P16473 2/20 0.46
HPGD P15428 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
AR P10275 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 5/20 0.46
HSD17B10 Q99714 5/20 0.46
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 4/20 0.44
PKM P14618 1/20 0.44
CYP19A1 P11511 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BRD4 O60885 1/20 0.40
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
MAPK10 P53779 1/20 0.40
PGR P06401 1/20 0.40

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
SCHEMBL9624082 0.79 KMT2A (0.59) TSHRHPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL5476793 0.78 PTGER4 (0.51) HPGDSMN1; SMN2KDM4EHSD17B10KMT2A
SCHEMBL8605369 0.77 NR3C1 (0.55) NR3C1HPGDSMN1; SMN2ARNPC1
SCHEMBL1221635 0.77 MAOB (0.53) NR3C1HPGDSMN1; SMN2ARKDM4E
SCHEMBL31518588 0.76 KDM4E (0.66) TSHRHPGDSMN1; SMN2RAB9AKDM4E
SCHEMBL1221632 0.75 CYP19A1 (0.50) HPGDSMN1; SMN2ARNPC1RAB9A
Acetic Acid SCHEMBL6140049 0.73 BRD4 (0.65) NR3C1HPGDSMN1; SMN2ARNPC1
SCHEMBL5203042 0.72 CYP19A1 (0.64) NR3C1HPGDSMN1; SMN2ARNPC1
SCHEMBL8605381 0.72 CYP19A1 (0.54) NR3C1HPGDSMN1; SMN2ARNPC1
SCHEMBL21436784 0.72 PTPN1 (0.58) HPGDSMN1; SMN2TDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8283362-B2 Beta-2-adrenoreceptor agonists NOVARTIS AG (CH) 2012-10-09 US disclosed
US-20120077838-A1 Beta-2-Adrenoreceptor Agonists CUENOUD BERNARD (GB) 2012-03-29 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-20120077838-A1 Beta-2-Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 NR3C1 50/4885TSHR 251/4885HPGD 1839/4885

“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.