SCHEMBL16825486

SCHEMBL16825486

CSc1ccc(F)c(Br)c1C#N

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 4/20 0.34
RXFP1 Q9HBX9 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31
MDM2 Q00987 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL16555563 0.79 PDE2A (0.31)
SCHEMBL16555495 0.79 RECQL (0.34)
SCHEMBL19866089 0.78 CA12 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL30856816 0.78 CA12 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL16825617 0.78 ALDH1A1 (0.40) ALDH1A1KDM4ERXFP1SMN1; SMN2NPSR1
SCHEMBL16680707 0.78 TRPV4 (0.39) ALDH1A1KDM4ERXFP1NPSR1KMT2A
SCHEMBL12147468 0.77 ALDH1A1 (0.41) ALDH1A1KDM4ERXFP1SMN1; SMN2NPSR1
SCHEMBL16555544 0.76 ALDH1A1 (0.35) ALDH1A1KDM4ERXFP1SMN1; SMN2NPSR1
SCHEMBL16555771 0.75 TRPV4 (0.33) ALDH1A1KDM4ERXFP1SMN1; SMN2NPSR1
SCHEMBL846222 0.73 ALDH1A1 (0.41) ALDH1A1KDM4ERXFP1KMT2AL3MBTL1

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-3083639-B1 CYCLIC SULFONE AND SULFOXIMINE ANALOGS AND USES THEREOF PELOTON THERAPEUTICS INC (US) 2019-05-29 EP disclosed
US-10098878-B2 HIF-2α inhibitors for treating iron overload disorders THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-10-16 US disclosed
US-9884843-B2 Cyclic sulfone and sulfoximine analogs and uses thereof PELOTON THERAPEUTICS, INC. (US) 2018-02-06 US disclosed
US-20170304300-A1 HIF-2alpha INHIBITORS FOR TREATING IRON OVERLOAD DISORDERS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-10-26 US disclosed
US-9796697-B2 Tricyclic inhibitors of HIF-2-alpha and uses thereof PELOTON THERAPEUTICS, INC. (US) 2017-10-24 US disclosed
EP-3203991-A1 HIF-2 INHIBITORS FOR TREATING IRON OVERLOAD DISORDERS The Board of Regents of The University of Texas System (US) 2017-08-16 EP disclosed
US-20160368893-A1 CYCLIC SULFONE AND SULFOXIMINE ANALOGS AND USES THEREOF Peloton Therapeutics ,Inc. 2016-12-22 US disclosed
US-20160362390-A1 TRICYCLIC INHIBITORS OF HIF-2-ALPHA AND USES THEREOF PELOTON THERAPEUTICS, INC. 2016-12-15 US disclosed
EP-3083639-A1 CYCLIC SULFONE AND SULFOXIMINE ANALOGS AND USES THEREOF Peloton Therapeutics, Inc. (US) 2016-10-26 EP disclosed
WO-2016057242-A1 HIF-2α INHIBITORS FOR TREATING IRON OVERLOAD DISORDERS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-04-14 WO disclosed
WO-2015095048-A1 CYCLIC SULFONE AND SULFOXIMINE ANALOGS AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2015-06-25 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 (4 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-20170304300-A1 HIF-2alpha INHIBITORS FOR TREATING IRON OVERLOAD DISORDERS HIF1AN, HIF1A, EGLN2 ALDH1A1 1260/4885KDM4E 1205/4885RXFP1 386/4885
US-10098878-B2 HIF-2α inhibitors for treating iron overload disorders HIF1AN, HIF1A, EGLN2 ALDH1A1 1136/4885KDM4E 1423/4885RXFP1 331/4885
US-20160368893-A1 CYCLIC SULFONE AND SULFOXIMINE ANALOGS AND USES THEREOF HIF1AN, HIF1A, EGLN2 ALDH1A1 1476/4885KDM4E 1078/4885RXFP1 2350/4885
US-20160362390-A1 TRICYCLIC INHIBITORS OF HIF-2-ALPHA AND USES THEREOF HIF1AN, HIF1A, EGLN2 ALDH1A1 1090/4885KDM4E 1698/4885RXFP1 2139/4885

“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.