SCHEMBL8237233

SCHEMBL8237233

O=C1CCCCc2c(F)ccc(F)c21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CES1 P23141 2/20 0.36
BRD4 O60885 7/20 0.36
PARP1 P09874 3/20 0.33
CREBBP Q92793 2/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BRDT Q58F21 1/20 0.31
CECR2 Q9BXF3 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
BRD7 Q9NPI1 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
SCHEMBL1477849 0.96 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2BRD4PARP1MAPT
SCHEMBL29525031 0.96 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2BRD4PARP1MAPT
SCHEMBL29605666 0.86 KDM4E (0.41) ALDH1A1
SCHEMBL783668 0.86 KDM4E (0.41) ALDH1A1
SCHEMBL23027524 0.80 BRD4 (0.40) ALDH1A1SMN1; SMN2BRD4CREBBPMAPT
SCHEMBL7101996 0.80 BRD4 (0.40) ALDH1A1SMN1; SMN2BRD4CREBBPMAPT
SCHEMBL19584901 0.80 KDM4E (0.38) ALDH1A1SMN1; SMN2BRD4PARP1MAPT
SCHEMBL6686475 0.80 BRD4 (0.42) ALDH1A1SMN1; SMN2BRD4CREBBPMAPT
SCHEMBL24542960 0.80 BRD4 (0.42) ALDH1A1SMN1; SMN2BRD4PARP1CREBBP
SCHEMBL14430372 0.76 KDM4E (0.59) ALDH1A1BRD4MAPTNPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569521-B2 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
US-8569521-B2 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2013-10-29 US disclosed
EP-1976843-B1 CARBOCYCLIC AND HETEROCYCLIC ARYLSULFONES AS GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME (US) 2013-09-04 EP disclosed
US-20120264736-A1 BENZENESULFONYL-CHROMANE, THIOCHROMANE, TETRAHYDRONAPHTHALENE AND RELATED GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2012-10-18 US disclosed
US-20120264736-A1 BENZENESULFONYL-CHROMANE, THIOCHROMANE, TETRAHYDRONAPHTHALENE AND RELATED GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2012-10-18 US disclosed
US-8067621-B2 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors SCHERING CORPORATION (US) 2011-11-29 US disclosed
US-8067621-B2 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors SCHERING CORPORATION (US) 2011-11-29 US disclosed
US-20070197581-A1 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors MERCK SHARP & DOHME LLC 2007-08-23 US disclosed
US-20070197581-A1 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors MERCK SHARP & DOHME LLC 2007-08-23 US disclosed
WO-2007084595-A2 CARBOCYCLIC AND HETEROCYCLIC ARYLSULFONES AS GAMMA SECRETASE INHIBITORS SCHERING CORPORATION (US) 2007-07-26 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-20120264736-A1 BENZENESULFONYL-CHROMANE, THIOCHROMANE, TETRAHYDRONAPHTHALENE AND RELATED GAMMA SECRETASE INHIBITORS BACE1, PSEN1, BACE2 ALDH1A1 2826/4885SMN1; SMN2 2477/4885CES1 89/4885
US-20070197581-A1 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors BACE1, BACE2, PSEN1 ALDH1A1 2806/4885SMN1; SMN2 2264/4885CES1 95/4885

“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.