SCHEMBL14865350

SCHEMBL14865350

Cc1ccn(CC(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.55
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 2/20 0.52
POLB P06746 2/20 0.52
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 2/20 0.36

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
SCHEMBL11908469 0.80 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBMAPTL3MBTL1
SCHEMBL21233125 0.79 CA12 (0.42) ALDH1A1KDM4EPOLBMAPTLMNA
SCHEMBL20665996 0.79 GRIN2B (0.37) AKR1B1ALDH1A1KDM4EPOLBMAPT
SCHEMBL11636925 0.79 AKR1B1 (0.50) AKR1B1ALDH1A1KDM4EPOLBMAPT
Acetic Acid SCHEMBL30212622 0.78 ALDH1A1 (0.38) AKR1B1ALDH1A1KDM4EPOLBMAPT
SCHEMBL18554448 0.76 AKR1B1 (0.66) AKR1B1ALDH1A1KDM4EPOLBMAPT
SCHEMBL17267401 0.76 TBXAS1 (0.46) KDM4ELMNA
SCHEMBL19992802 0.75 AKR1B1 (0.55) AKR1B1ALDH1A1KDM4EPOLBMAPT
SCHEMBL1126620 0.75 AKR1B1 (0.54) AKR1B1ALDH1A1KDM4EPOLBMAPT
SCHEMBL21128703 0.75 AKR1B1 (0.50) AKR1B1ALDH1A1KDM4EPOLBMAPT

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
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US 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-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
WO-2019149260-A1 PYRIDAZINOL COMPOUND, DERIVATIVE THEREOF, PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF 青岛清原化合物有限公司 2019-08-08 WO disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-1806342-B1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2013-04-17 EP disclosed
CN-101410366-A Substituted bicyclic ring derivatives and uses thereof ASAHI KASEI PHARMA CORP (JP) 2009-04-15 CN 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 (2 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-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 AKR1B1 3557/4885ALDH1A1 1991/4885KDM4E 2079/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 AKR1B1 3557/4885ALDH1A1 1991/4885KDM4E 2079/4885

“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.