SCHEMBL787741

SCHEMBL787741

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nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.36
SRR Q9GZT4 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.32
ECE1 P42892 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
PTGS2 P35354 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GABRR1 P24046 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2D6 P10635 1/20 0.31
CACNB3 P54284 1/20 0.30
CACNA2D1 P54289 1/20 0.30
CACNA1C Q13936 1/20 0.30

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
SCHEMBL1259907 0.95 LDHA (0.40) LDHASRRSLC22A6TP53SMN1; SMN2
SCHEMBL7781837 0.95 LDHA (0.40) LDHASRRSLC22A6TP53SMN1; SMN2
3-Hydroxybutyric Acid, (+/-)- SCHEMBL16915288 0.77 LDHA (0.50) LDHASRRSLC22A6TP53SMN1; SMN2
SCHEMBL17733 0.77 ALDH1A1 (0.46) LDHASRRSLC22A6MAPTALDH1A1
SCHEMBL11762118 0.76 LDHA (0.47) LDHASRRSLC22A6SMN1; SMN2MAPT
SCHEMBL2775806 0.76 CYP2C19 (0.44) SLC22A6TP53ALDH1A1TDP1CYP2C19
SCHEMBL320091 0.76 LDHA (0.61) LDHASRRSLC22A6ALDH1A1LMNA
SCHEMBL320485 0.76 LDHA (0.61) LDHASRRSLC22A6ALDH1A1LMNA
SCHEMBL5665861 0.75 ALDH1A1 (0.43) TP53ALDH1A1TDP1CYP2C19
SCHEMBL28073104 0.75 ALDH1A1 (0.43) LDHASRRSLC22A6MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329893-A1 THERAPEUTIC COMPOSITIONS BTG INTERNATIONAL LIMITED (GB) 2014-11-06 US claimed
US-20120071548-A1 Therapeutic compositions BTG INTERNATIONAL LIMITED (GB) 2012-03-22 US claimed
JP-4740426-B2 2011-08-03 JP claimed
US-20090253781-A1 Therapeutic compositions BTG INTERNATIONAL LIMITED (GB) 2009-10-08 US claimed
EP-1017379-A4 THERAPEUTIC COMPOSITIONS BTG INT LTD (GB) 2007-01-24 EP claimed
US-20040266872-A1 Therapy of neuro-degenerative disorder by administering D-beta - hydroxybutyric acid, acetoacetate, or a metabolic precursor or physiologically acceptable salt of D- beta -hydroxybutyric acid or acetoacetate BTG INTERNATIONAL LIMITED (GB) 2004-12-30 US claimed
US-20030022937-A1 Therapy of neuro-degenerative disorder by administering D-beta - hydroxybutyric acid, acetoacetate, or a metabolic precursor or physiologically acceptable salt of D- beta -hydroxybutyric acid or acetoacetate BTG INTERNATIONAL LIMITED 2003-01-30 US claimed
US-20010041736-A1 Therapy for nervous system disorders BTG INTERNATIONAL LIMITED 2001-11-15 US claimed
EP-1017379-A1 THERAPEUTIC COMPOSITIONS BTG INTERNATIONAL LIMITED (GB) 2000-07-12 EP claimed
CN-1256629-A Therapeutic compositions BRITISH TECH GROUP (GB) 2000-06-14 CN claimed
WO-1998041201-A9 THERAPEUTIC COMPOSITIONS 1999-03-11 WO claimed
WO-1998041201-A1 THERAPEUTIC COMPOSITIONS BTG INTERNATIONAL LIMITED (GB) 1998-09-24 WO claimed
WO-1998041200-A1 THERAPEUTIC COMPOSITIONS BTG INTERNATIONAL LIMITED (GB) 1998-09-24 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20120071548-A1 Therapeutic compositions CPT1B, GYS1, IAPP LDHA 116/4885SRR 2358/4885SLC22A6 1007/4885
US-20010041736-A1 Therapy for nervous system disorders GYS1, CPT1B, PYGB LDHA 141/4885SRR 1657/4885SLC22A6 654/4885
US-20030022937-A1 Therapy of neuro-degenerative disorder by administering D-beta - hydroxybutyric acid, acetoacetate, or a metabolic precursor or physiologically acceptable salt of D- beta -hydroxybutyric acid or acetoacetate CPT1B, BDNF, IAPP LDHA 207/4885SRR 2160/4885SLC22A6 550/4885
US-20040266872-A1 Therapy of neuro-degenerative disorder by administering D-beta - hydroxybutyric acid, acetoacetate, or a metabolic precursor or physiologically acceptable salt of D- beta -hydroxybutyric acid or acetoacetate CPT1B, BDNF, IAPP LDHA 207/4885SRR 2160/4885SLC22A6 550/4885
US-20140329893-A1 THERAPEUTIC COMPOSITIONS CPT1B, GYS1, IAPP LDHA 116/4885SRR 2358/4885SLC22A6 1007/4885
US-20090253781-A1 Therapeutic compositions CPT1B, GYS1, IAPP LDHA 116/4885SRR 2358/4885SLC22A6 1007/4885

“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.