SCHEMBL6071498

SCHEMBL6071498

CC(C)n1cc(C(=O)O)nn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.36
HCAR3 P49019 2/20 0.36
HCAR2 Q8TDS4 2/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NOTUM Q6P988 1/20 0.34
DPP4 P27487 1/20 0.34

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
SCHEMBL13872394 0.85 ALDH1A1 (0.40) HCAR3HCAR2LMNARECQLSMN1; SMN2
SCHEMBL12862815 0.85 SMN1; SMN2 (0.33) HCAR3HCAR2LMNARECQLSMN1; SMN2
SCHEMBL14262405 0.84 ACHE (0.36) ACHELMNARECQLSMN1; SMN2
SCHEMBL11983420 0.83 HTT (0.34) HCAR3HCAR2LMNARECQLSMN1; SMN2
SCHEMBL12877389 0.82 SCD (0.40) ACHELMNARECQLNOTUM
SCHEMBL22021946 0.82 ACHE (0.35) ACHELMNARECQLSMN1; SMN2
SCHEMBL12379165 0.82 ACHE (0.39) ACHELMNARECQLSMN1; SMN2
SCHEMBL29224184 0.82 NOTUM (0.34) ACHEHCAR3HCAR2LMNARECQL
SCHEMBL31124058 0.80 CTSL (0.38)
SCHEMBL31124037 0.80 NOTUM (0.37) NOTUMDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 US disclosed
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS, LLC 2023-08-17 US disclosed
EP-3677579-A1 HETEROCYCLIC GLS1 INHIBITORS Board of Regents, The University of Texas System (US) 2020-07-08 EP disclosed
WO-2016127859-A1 COMPOUNDS AS HEPATITIS C INHIBITORS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-08-18 WO disclosed
US-8501786-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2011-02-03 US disclosed
US-7348309-B2 Glycorandomization and production of novel vancomycin analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-03-25 US disclosed
US-7348309-B2 Glycorandomization and production of novel vancomycin analogs WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-03-25 US disclosed
US-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 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 (3 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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 ACHE 3136/4885HCAR3 415/4885HCAR2 274/4885
US-20230257352-A1 RAF KINASE INHIBITORS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF ACHE 4872/4885HCAR3 3612/4885HCAR2 4118/4885
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 ACHE 967/4885HCAR3 59/4885HCAR2 171/4885

“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.