SCHEMBL2054548

SCHEMBL2054548

Cc1ccc2c(c1)OC[C@@H](C(=O)O)O2

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
NPC1 O15118 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
RPS6KB2 Q9UBS0 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.44
POLB P06746 2/20 0.43
CYP19A1 P11511 2/20 0.42

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
SCHEMBL1519184 1.00 RAB9A (0.49) RAB9ANPC1L3MBTL1SMN1; SMN2RPS6KB2
SCHEMBL1107089 1.00 RAB9A (0.49) RAB9ANPC1L3MBTL1SMN1; SMN2RPS6KB2
SCHEMBL1519098 0.94 RAB9A (0.49) RAB9ANPC1L3MBTL1SMN1; SMN2RPS6KB2
SCHEMBL7437345 0.89 RAB9A (0.50) RAB9ANPC1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL16601605 0.87 RAB9A (0.49) RAB9ANPC1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL13808597 0.84 RAB9A (0.43) RAB9ANPC1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL24121618 0.83 RAB9A (0.46) RAB9ANPC1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL9259508 0.82 CYP3A4 (0.47) RAB9ANPC1SMN1; SMN2RPS6KB2ALDH1A1
SCHEMBL7436303 0.82 RAB9A (0.50) RAB9ANPC1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL1519333 0.82 CYP4F2 (0.50) RAB9ANPC1L3MBTL1SMN1; SMN2ALDH1A1

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-8993585-B2 Cyclic amine substituted pyrimidinediamines as PKC inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130045973-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG 2013-02-21 US disclosed
US-8163901-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2012-04-24 US disclosed
US-20110028465-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2011-02-03 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 (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-20130045973-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 RAB9A 2274/4885NPC1 959/4885L3MBTL1 3894/4885
US-20110028465-A1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME TRPV1, TRPA1, TRPV2 RAB9A 2274/4885NPC1 959/4885L3MBTL1 3894/4885

“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.