SCHEMBL16738809

SCHEMBL16738809

O=S(=O)(c1ccccc1)[C@@]1(O)CCc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
HDAC9 Q9UKV0 1/20 0.41
HCAR2 Q8TDS4 1/20 0.39
KDM1A O60341 1/20 0.38
MAOB P27338 1/20 0.38
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
RORC P51449 1/20 0.36
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
APP P05067 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35

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
SCHEMBL3840488 0.90 GAA (0.46) GAAMCOLN3HDAC9KDM1AHTR2A
SCHEMBL18049075 0.75 TSHR (0.40) HDAC9HCAR2KDM1AMAOBTSHR
SCHEMBL3840701 0.71 HTR6 (0.40) GAAMCOLN3HTR2AHTR2CHTR2B
SCHEMBL3841136 0.71 GAA (0.46) GAAMCOLN3KDM1ATSHRHTR2A
SCHEMBL315173 0.71 GAA (0.42) GAAMCOLN3HDAC9KDM1A
SCHEMBL315669 0.71 GAA (0.42) GAAMCOLN3HDAC9KDM1A
SCHEMBL315773 0.71 GAA (0.39) GAAMCOLN3HDAC9KDM1AMAOB
Benzene SCHEMBL11415270 0.70 KDM1A (0.47) HDAC9HCAR2KDM1AMAOBTSHR
SCHEMBL29832096 0.70 GAA (0.57) GAAMCOLN3TSHRTDP1RORC
SCHEMBL3854188 0.69 HDAC9 (0.39) GAAMCOLN3HDAC9HCAR2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3074375-B1 NEW INDANYLOXYPHENYLCYCLOPROPANECARBOXYLIC ACIDS BOEHRINGER INGELHEIM INT (DE) 2018-04-04 EP disclosed
EP-3074375-A1 NEW INDANYLOXYPHENYLCYCLOPROPANECARBOXYLIC ACIDS Boehringer Ingelheim International GmbH (DE) 2016-10-05 EP disclosed
US-9308194-B2 Indanyloxyphenylcyclopropanecarboxylic acids BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-12 US disclosed
WO-2015078802-A1 NEW INDANYLOXYPHENYLCYCLOPROPANECARBOXYLIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-06-04 WO disclosed
US-20150148347-A1 INDANYLOXYPHENYLCYCLOPROPANECARBOXYLIC ACIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-28 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-20150148347-A1 INDANYLOXYPHENYLCYCLOPROPANECARBOXYLIC ACIDS GPR119, INSR, GPR65 GAA 4157/4885MCOLN3 1145/4885HDAC9 4155/4885

“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.