SCHEMBL1649555

SCHEMBL1649555

CCSCc1ccc2c(c1)c1c3c(c4c5cc(CSCC)ccc5n5c4c1n2[C@@H]1C[C@H](C(=O)OOC)[C@]5(C)O1)CNC3=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 12/20 0.67
MAP3K9 P80192 11/20 0.67
MAP3K10 Q02779 7/20 0.67
FLT1 P17948 1/20 0.67
FLT4 P35916 1/20 0.67
KDR P35968 1/20 0.67
DLK1 P80370 1/20 0.67
PRKCQ Q04759 5/20 0.64
ROCK2 O75116 3/20 0.64
NTRK1 P04629 5/20 0.64
PAK3 O75914 1/20 0.55
PRKD3 O94806 2/20 0.53
PRKCG P05129 2/20 0.53
PRKCB P05771 2/20 0.53
PRKCA P17252 2/20 0.53
PRKCH P24723 2/20 0.53
PRKCI P41743 2/20 0.53
PRKCE Q02156 2/20 0.53
PRKCZ Q05513 2/20 0.53
PRKCD Q05655 2/20 0.53

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
SCHEMBL29447166 0.87 PRKCQ (0.71) MAP3K11MAP3K9MAP3K10FLT1FLT4
SCHEMBL30309325 0.83 PRKCQ (0.71) MAP3K10FLT1FLT4KDRPRKCQ
Cep-1347 SCHEMBL8263437 0.81 MAP3K11 (1.00) MAP3K11MAP3K9MAP3K10FLT1FLT4
Cep-1347 SCHEMBL30198505 0.81 MAP3K11 (1.00) MAP3K11MAP3K9MAP3K10FLT1FLT4
Cep-1347 SCHEMBL12047710 0.81 MAP3K11 (1.00) MAP3K11MAP3K9MAP3K10FLT1FLT4
Cep-1347 SCHEMBL29381680 0.81 MAP3K11 (1.00) MAP3K11MAP3K9MAP3K10FLT1FLT4
SCHEMBL5964631 0.80 MAP3K11 (0.86) MAP3K11MAP3K9MAP3K10FLT1FLT4
SCHEMBL14825401 0.80 MAP3K11 (0.60) MAP3K11MAP3K9MAP3K10FLT1FLT4
SCHEMBL8280372 0.79 MAP3K11 (0.79) MAP3K11MAP3K9MAP3K10FLT1FLT4
SCHEMBL22765174 0.79 PRKCQ (1.00) MAP3K11MAP3K9MAP3K10FLT1FLT4

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-10905672-B2 Combination of baclofen, acamprosate and medium chain triglycerides for the treatment of neurological disorders PHARNEXT (FR) 2021-02-02 US disclosed
US-10799499-B2 Combinatorial therapies of neurological disorders PHARNEXT (FR) 2020-10-13 US disclosed
US-20190111054-A1 NOVEL COMBINATORIAL THERAPIES OF NEUROLOGICAL DISORDERS PHARNEXT (FR) 2019-04-18 US disclosed
EP-3411025-A1 NOVEL COMBINATORIAL THERAPIES OF NEUROLOGICAL DISORDERS Pharnext (FR) 2018-12-12 EP disclosed
WO-2017134280-A1 NOVEL COMBINATORIAL THERAPIES OF NEUROLOGICAL DISORDERS PHARNEXT (FR) 2017-08-10 WO disclosed
EP-3104850-A1 COMBINATION OF BACLOFEN, ACAMPROSATE AND MEDIUM CHAIN TRIGLYCERIDES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS Pharnext (FR) 2016-12-21 EP disclosed
US-20160354335-A1 COMBINATION OF BACLOFEN, ACAMPROSATE AND MEDIUM CHAIN TRIGLYCERIDES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PHARNEXT (FR) 2016-12-08 US disclosed
WO-2015121218-A1 COMBINATION OF BACLOFEN, ACAMPROSATE AND MEDIUM CHAIN TRIGLYCERIDES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS PHARNEXT (FR) 2015-08-20 WO disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 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-10905672-B2 Combination of baclofen, acamprosate and medium chain triglycerides for the treatment of neurological disorders CPT1B, APOB, GABRB3 MAP3K11 3111/4885MAP3K9 3870/4885MAP3K10 3423/4885
US-20160354335-A1 COMBINATION OF BACLOFEN, ACAMPROSATE AND MEDIUM CHAIN TRIGLYCERIDES FOR THE TREATMENT OF NEUROLOGICAL DISORDERS CPT1B, APOB, GABRB3 MAP3K11 3123/4885MAP3K9 3949/4885MAP3K10 3458/4885

“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.