SCHEMBL8231920

SCHEMBL8231920

CC(CC(=O)O)Cc1cc(F)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.45
DPP9 Q86TI2 5/20 0.45
DPP7 Q9UHL4 5/20 0.44
DPP8 Q6V1X1 4/20 0.43
RIPK1 Q13546 1/20 0.41
AGBL2 Q5U5Z8 1/20 0.41
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 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
SCHEMBL6692860 0.85 DPP4 (0.43) DPP4DPP9DPP7DPP8RIPK1
SCHEMBL8238467 0.83 DPP4 (0.44) DPP4DPP9DPP7DPP8RIPK1
SCHEMBL28183895 0.81 DPP4 (0.49) DPP4DPP9DPP7DPP8
SCHEMBL3973347 0.80 DPP4 (0.47) DPP4DPP9DPP7DPP8RIPK1
SCHEMBL5813062 0.78 DPP4 (0.46) DPP4DPP9DPP7DPP8RIPK1
SCHEMBL4981480 0.77 DPP4 (0.43) DPP4DPP9DPP7DPP8RIPK1
SCHEMBL5794436 0.76 TRPA1 (0.50) FFAR1
SCHEMBL14687291 0.76 ALDH1A1 (0.43) DPP4DPP9DPP7
SCHEMBL13172944 0.76 DPP4 (0.40) DPP4DPP9DPP7DPP8
SCHEMBL451227 0.75 DPP4 (0.47) DPP4DPP9DPP7DPP8RIPK1

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 DPP4 3022/4885DPP9 2255/4885DPP7 2048/4885
US-20070197581-A1 Benzenesulfonyl-chromane, thiochromane, tetrahydronaphthalene and related gamma secretase inhibitors BACE1, BACE2, PSEN1 DPP4 2857/4885DPP9 1949/4885DPP7 1870/4885

“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.