SCHEMBL17893189

SCHEMBL17893189

C[C@@]1(C(=O)O)CC[C@@](C)(C(=O)O)C1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.77
MAPK1 P28482 3/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
STAT6 P42226 1/20 0.33
HIF1A Q16665 1/20 0.33
NPC1 O15118 1/20 0.33
GMNN O75496 1/20 0.33
LMNA P02545 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APLNR P35414 1/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL17893191 1.00 FFAR3 (0.77) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL17893188 1.00 FFAR3 (0.77) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL17893172 0.88 FFAR3 (0.60) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL405480 0.87 FFAR3 (0.65) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL4442780 0.87 FFAR3 (0.65) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL14012097 0.87 FFAR3 (0.65) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL13490845 0.87 FFAR3 (0.65) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL503244 0.87 FFAR3 (0.65) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL25276733 0.87 FFAR3 (1.00) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL3671602 0.87 FFAR3 (1.00) FFAR3MAPK1TP53NFKB1CYP2C19

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
EP-3240572-B1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP disclosed
EP-3240546-B1 TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME (US) 2020-10-21 EP disclosed
US-10208047-B2 Tertiary alcohol imidazopyrazine BTK inhibitors MERCK SHARP & DOHME CORP. (US) 2019-02-19 US disclosed
US-10087188-B2 Benzamide imidazopyrazine Btk inhibitors MERCK SHARP & DOHME CORP. (US) 2018-10-02 US disclosed
US-20170362242-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
US-20170342076-A1 TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-11-30 US disclosed
EP-3240546-A1 TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 EP disclosed
EP-3240572-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-11-08 EP disclosed
WO-2016109223-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 WO disclosed
WO-2016109222-A1 TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-07-07 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 (4 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-20170362242-A1 BENZAMIDE IMIDAZOPYRAZINE BTK INHIBITORS BTK, SYK, ABL1 FFAR3 2896/4885MAPK1 529/4885TP53 1569/4885
US-10087188-B2 Benzamide imidazopyrazine Btk inhibitors BTK, SYK, ABL1 FFAR3 2896/4885MAPK1 529/4885TP53 1569/4885
US-10208047-B2 Tertiary alcohol imidazopyrazine BTK inhibitors BTK, SYK, ABL1 FFAR3 1860/4885MAPK1 315/4885TP53 1639/4885
US-20170342076-A1 TERTIARY ALCOHOL IMIDAZOPYRAZINE BTK INHIBITORS BTK, SYK, ABL1 FFAR3 1860/4885MAPK1 315/4885TP53 1639/4885

“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.