SCHEMBL312176

SCHEMBL312176

CC(C(=O)O)n1ccccc1=O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.47
MAPT P10636 1/20 0.43
PTGS2 P35354 4/20 0.42
KDM4E B2RXH2 2/20 0.41
P4HB P07237 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37

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
SCHEMBL312175 1.00 USP5 (0.47) USP5MAPTPTGS2KDM4EP4HB
SCHEMBL11983331 0.85 MAPT (0.40) USP5MAPTPTGS2P4HBTSHR
SCHEMBL1724268 0.78 MAPT (0.40) MAPTPTGS2KDM4EP4HBTSHR
SCHEMBL21459362 0.78 BCL2 (0.47) ALDH1A1GAA
SCHEMBL21459361 0.78 BCL2 (0.47) ALDH1A1GAA
SCHEMBL311625 0.78 CYP1A2 (0.46) MAPTKDM4EP4HBTSHRHTT
SCHEMBL311624 0.78 CYP1A2 (0.46) MAPTKDM4EP4HBTSHRHTT
SCHEMBL1106502 0.77 MAPT (0.38) MAPTPTGS2P4HBTSHRHTT
SCHEMBL21483684 0.76 PSMB5 (0.42) MAPTPTGS2KDM4EP4HBTSHR
SCHEMBL31491147 0.76 PSMB5 (0.42) MAPTPTGS2KDM4EP4HBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025072539-A1 AMINO ACID COMPOUNDS WITH NITROGEN LINKERS AND USES THEREOF PLIANT THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed
WO-2019200202-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. (US) 2019-10-17 WO disclosed
US-9650358-B2 Pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-05-16 US disclosed
US-20140275011-A1 PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 US disclosed
US-8653260-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2014-02-18 US disclosed
US-8653260-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2014-02-18 US disclosed
US-8653260-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2014-02-18 US disclosed
US-8501786-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-8501786-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-8501786-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
WO-2009124166-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 WO disclosed
WO-2009123870-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 WO disclosed
US-20090131456-A1 CASPASE INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 US disclosed
US-7517987-B2 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICAL INCORPORATED (US) 2009-04-14 US disclosed
CN-101348455-A Aspartic acid specificity cysteine proteinase inhibitors and uses thereof VERTEX PHARMA (US) 2009-01-21 CN disclosed
CN-100415718-C Caspase inhibitors and uses thereof VERTEX PHARMA (US) 2008-09-03 CN disclosed
US-20030232846-A1 Caspase inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-12-18 US disclosed
CN-1420872-A Caspase inhibitors and uses thereof VERTEX PHARMA (US) 2003-05-28 CN disclosed
US-3994874-A ANTIBACTERIAL RICHARDSON-MERRELL INC. (US) 1976-11-30 US disclosed
US-3956287-A BACTERICIDES RICHARDSON-MERRELL INC. (US) 1976-05-11 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-20090131456-A1 CASPASE INHIBITORS AND USES THEREOF CASP1, CASP3, CASP2 USP5 403/4885MAPT 3623/4885PTGS2 1519/4885
US-20140275011-A1 PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK6 USP5 2943/4885MAPT 2993/4885PTGS2 1849/4885
US-20030232846-A1 Caspase inhibitors and uses thereof CASP1, CASP3, CASP2 USP5 359/4885MAPT 3562/4885PTGS2 1369/4885

“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.