SCHEMBL2178900

SCHEMBL2178900

CC(=O)C(C)(C)CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.52
CHRM1 P11229 1/20 0.52
TBXA2R P21731 1/20 0.52
ADRA1A P35348 1/20 0.52
CYP2C19 P33261 2/20 0.50
HIF1A Q16665 2/20 0.50
TSHR P16473 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP2D6 P10635 1/20 0.50
FFAR1 O14842 1/20 0.44
CPT2 P23786 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.39
FFAR3 O14843 2/20 0.35
LMNA P02545 1/20 0.35
SLC15A2 Q16348 1/20 0.35
CTH P32929 1/20 0.33
GAA P10253 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 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
SCHEMBL18011682 0.79 KDM4E (0.48) HMGCRCHRM1TBXA2RADRA1ACYP2C19
Hydrochloric Acid SCHEMBL4137653 0.79 TSHR (0.60) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL83915 0.79 TSHR (0.60) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL9015652 0.79 ALDH1A1 (0.37) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL4932094 0.78 HMGCR (0.48) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL28478983 0.77 TSHR (0.57) HMGCRCHRM1TBXA2RADRA1ACYP2C19
Ammonia Solution, Strong SCHEMBL10868076 0.77 TSHR (0.57) HMGCRCHRM1TBXA2RADRA1ACYP2C19
Ammonia Solution, Strong SCHEMBL10870096 0.77 TSHR (0.57) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL8844260 0.77 TSHR (0.57) HMGCRCHRM1TBXA2RADRA1ACYP2C19
SCHEMBL6739451 0.77 TSHR (0.57) HMGCRCHRM1TBXA2RADRA1ACYP2C19

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 52 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3253752-B1 [9,10-DIMETHOXY-3-(2-METHYLPROPYL)-1H,2H,3H,4H,6H,7H,11BH-PYRIDO-[2,1-A]ISOQUINOLIN-2-YL]METHANOL AND COMPOUNDS, COMPOSITIONS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2023-08-16 EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-9849112-B2 Pyrrole compounds as Granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2017-12-26 US disclosed
WO-2017132771-A1 GRANZYME B INHIBITOR FORMULATIONS AND METHODS FOR THE TREATMENT OF BURNS VIDA THERAPEUTICS, INC. (CA) 2017-08-10 WO disclosed
US-20170218014-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2017-08-03 US disclosed
US-20170015705-A1 PYRROLE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2017-01-19 US disclosed
US-20170015707-A1 COVALENT GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2017-01-19 US disclosed
US-20170015706-A1 PROLINE COMPOUNDS AS GRANZYME B INHIBITORS VIDA THERAPEUTICS INC. (CA) 2017-01-19 US disclosed
US-9458138-B1 Pyrrole compounds as granzyme B inhibitors viDATherapeutics Inc. (CA) 2016-10-04 US disclosed
US-9458193-B1 Proline compounds as Granzyme B inhibitors VIDA THERAPEUTICS INC. (CA) 2016-10-04 US disclosed
US-4056537-A CYCLIZATION, ACID CATALYST AYERST MCKENNA AND HARRISON LTD. (CA) 1977-11-01 US disclosed
US-4056538-A ANTIDEPRESSANTS, ANTIULCER AGENTS AYERST, MCKENNA & HARRISON LIMITED (CA) 1977-11-01 US disclosed
US-4041169-A TREATING AND PREVENTING ULCERS AYERST MCKENNA AND HARRISON LTD. (CA) 1977-08-09 US disclosed
US-4035495-A HYPERTENSIVE AGENTS, CNS DEPRESSANT AYERST MCKENNA AND HARRISON LTD. (CA) 1977-07-12 US disclosed
US-4012511-A ANTIULCER AGENTS AYERST MCKENNA & HARRISON LTD. (CA) 1977-03-15 US disclosed
US-4012417-A ACID CATALYSTS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-03-15 US disclosed
US-4003913-A ANTIDEPRESSANTS, ANTIULCER AGENTS AYERST MCKENNA AND HARRISON LTD. (CA) 1977-01-18 US disclosed
US-3995052-A Indenopyran- and indenothiopyranalkylamines III in the treatment of depression AYERST MCKENNA AND HARRISON LTD. (CA) 1976-11-30 US disclosed
US-3974179-A ANTIINFLAMMATORY, ANALGESICS, BACTERICIDES, FUNGICIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1976-08-10 US disclosed
US-3962236-A ANTIDEPRESSANTS, ANTI-ULCER AYERST MCKENNA AND HARRISON LTD. (CA) 1976-06-08 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 (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-20170218014-A1 AZAINDOLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, DNASE1L3, DNASE1 HMGCR 4120/4885CHRM1 4769/4885TBXA2R 2921/4885
US-20170015705-A1 PYRROLE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, CTSB, DNASE1L3 HMGCR 3220/4885CHRM1 4871/4885TBXA2R 3920/4885
US-20170015707-A1 COVALENT GRANZYME B INHIBITORS GZMB, CTSB, DNASE1L3 HMGCR 3416/4885CHRM1 4830/4885TBXA2R 3017/4885
US-20170015706-A1 PROLINE COMPOUNDS AS GRANZYME B INHIBITORS GZMB, CTSB, RNPEP HMGCR 3404/4885CHRM1 4880/4885TBXA2R 4017/4885

“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.