SCHEMBL20005022

SCHEMBL20005022

CC(C)c1ccc(N(CCF)S(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 0.55
CNR2 P34972 5/20 0.55
CNR1 P21554 3/20 0.55
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
MAPT P10636 1/20 0.54
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.46
RORC P51449 4/20 0.46
ESR1 P03372 1/20 0.46
RORA P35398 1/20 0.45
RORB Q92753 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL27812675 0.84 NR1I2 (0.64) NR1I2CNR2CNR1KMT2AMEN1
SCHEMBL21115115 0.77 RORC (0.46) NR1I2KMT2AMAPTALDH1A1POLB
SCHEMBL28134914 0.77 PKM (0.55) NR1I2CNR2CNR1KMT2AMEN1
SCHEMBL16540121 0.77 CNR2 (0.51) NR1I2CNR2CNR1KMT2AMEN1
SCHEMBL16731518 0.74 RORC (0.81) NR1I2MAPTALDH1A1RORCRORA
SCHEMBL12218485 0.74 KMT2A (0.69) CNR2CNR1KMT2AMEN1MAPT
SCHEMBL10438567 0.72 ESR1 (0.79) NR1I2KMT2AMEN1ESR1TSHR
SCHEMBL3156533 0.71 NR3C1 (0.51) NR1I2RORCESR1RORARORB
SCHEMBL28129570 0.71 MCL1 (0.62) NR1I2KMT2AMAPTPOLBRORC
SCHEMBL15980998 0.70 MCL1 (0.63) KMT2AMEN1MAPTKDM4EALDH1A1

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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2021-02-02 US disclosed
EP-3515912-B1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NAT RECH SCIENT (FR) 2020-10-14 EP disclosed
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-07-11 US disclosed
WO-2018055316-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2018-03-29 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 (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-10906900-B2 Compounds for using in imaging and particularly for the diagnosis of neurodegenerative diseases PSEN2, CLN6, MAPT NR1I2 1005/4885CNR2 840/4885CNR1 930/4885
US-20190211011-A1 COMPOUNDS FOR USING IN IMAGING AND PARTICULARLY FOR THE DIAGNOSIS OF NEURODEGENERATIVE DISEASES PSEN2, SNCA, MAPT NR1I2 1229/4885CNR2 1043/4885CNR1 1159/4885

“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.