SCHEMBL2393006

SCHEMBL2393006

CCOC(=O)C(O)c1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.47
CASP1 P29466 1/20 0.47
MMP8 P22894 2/20 0.44
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
GLS O94925 1/20 0.40
EPHX2 P34913 1/20 0.40
F2R P25116 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL29524567 1.00 PIN1 (0.47) PIN1CASP1MMP8HTTTSHR
SCHEMBL20930509 0.84 MMP8 (0.49) PIN1CASP1MMP8HTTTSHR
SCHEMBL18512238 0.84 PTGS1 (0.42) PIN1CASP1MMP8MEN1NPC1
SCHEMBL8434089 0.83 PIN1 (0.45) PIN1CASP1MMP8HTTTSHR
SCHEMBL15916867 0.83 CASP1 (0.70) PIN1CASP1MMP8HTTTSHR
SCHEMBL8873528 0.83 PIN1 (0.47) PIN1CASP1MMP8HTTTSHR
SCHEMBL31257144 0.83 PIN1 (0.47) PIN1CASP1MMP8HTTTSHR
SCHEMBL649031 0.82 CYP2C19 (0.46) HTTKMT2ACYP2C9CYP2C19GLS
SCHEMBL1190661 0.82 CASP1 (0.49) PIN1CASP1MMP8TSHRMEN1
SCHEMBL22980746 0.82 CASP1 (0.40) PIN1CASP1MMP8HTTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404295-B2 (Hetero)aryl-methyl-thio-beta-D-galactopyranoside derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2025-09-02 US disclosed
EP-4010076-B1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2024-01-17 EP disclosed
US-20220315619-A1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2022-10-06 US disclosed
EP-4010076-A1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2022-06-15 EP disclosed
CN-114206893-A (hetero) aryl-methyl-thio-beta-D-galactopyranoside derivatives 爱杜西亚药品有限公司 2022-03-18 CN disclosed
WO-2021028336-A1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-02-18 WO disclosed
EP-2334684-B1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INT (DE) 2017-08-02 EP disclosed
US-9079905-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-9079905-B2 Compounds for the treatment of CNS disorders BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-06-07 US disclosed
US-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed
US-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed
EP-2374790-A1 BIPHENYLACETAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2011-10-12 EP disclosed
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 US disclosed
WO-2010026214-A1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 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 (5 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-20120142771-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 PIN1 3532/4885CASP1 1759/4885MMP8 3016/4885
US-20110224304-A1 BIPHENYLACETAMIDE DERIVATIVE HRH3, KCNH3, BRPF3 PIN1 3532/4885CASP1 1759/4885MMP8 3016/4885
US-20220315619-A1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES LGALS1, LGALS3, LGALS2 PIN1 4154/4885CASP1 1527/4885MMP8 3424/4885
US-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS CNR1, CNR2, CHRM5 PIN1 140/4885CASP1 2940/4885MMP8 4480/4885
US-12404295-B2 (Hetero)aryl-methyl-thio-beta-D-galactopyranoside derivatives LGALS1, LGALS3, LGALS2 PIN1 4154/4885CASP1 1527/4885MMP8 3424/4885

“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.