SCHEMBL370634

SCHEMBL370634

CCn1ccnc1C(=O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.36
ESR1 P03372 1/20 0.35
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
ARG1 P05089 1/20 0.33
FPR2 P25090 1/20 0.33

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
SCHEMBL300078 0.85 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ANPC1MAPTESR1
SCHEMBL9498449 0.82 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL2276496 0.81 SMN1; SMN2 (0.40) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL4314338 0.79 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL13724404 0.79 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ANPC1MAPTKMT2A
Bicarbonate SCHEMBL28294813 0.77 ALDH1A1 (0.53) SMN1; SMN2KMT2AALDH1A1POLB
SCHEMBL25153633 0.76 LPO (0.40) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL5518077 0.76 SMN1; SMN2 (0.41) SMN1; SMN2MAPTESR1KMT2AALDH1A1
SCHEMBL12499907 0.76 MAPT (0.41) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL29515990 0.76 RAB9A (0.54) SMN1; SMN2RAB9ANPC1KMT2AALDH1A1

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-2593425-B1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS INC (US) 2018-10-17 EP disclosed
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2016-09-15 US disclosed
US-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2013-07-18 US disclosed
EP-2593425-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE Agios Pharmaceuticals, Inc. (US) 2013-05-22 EP disclosed
WO-2012009678-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHOD OF USE AGIOS PHARMACEUTICALS, INC. (US) 2012-01-19 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-20130184222-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A SMN1; SMN2 166/4885RAB9A 1278/4885NPC1 2594/4885
US-20160264621-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A SMN1; SMN2 166/4885RAB9A 1278/4885NPC1 2594/4885

“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.