SCHEMBL1966001

SCHEMBL1966001

CC1(C)CC(CC(=O)O)C(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 5/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ITGB3 P05106 1/20 0.33
ITGB2 P05107 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA2B P08514 1/20 0.33
ITGA5 P08648 1/20 0.33
ITGB5 P18084 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
SCHEMBL20353287 0.85 KDM4E (0.56) KDM4ESMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL12256527 0.82 NPC1 (0.55) KDM4ESMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL6344078 0.81 KDM4E (0.52) KDM4ESMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL3122943 0.76 L3MBTL1 (0.49) KDM4ESMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL17061216 0.73 PTGDR2 (0.44) SMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL12768178 0.72 SMN1; SMN2 (0.48) KDM4ESMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL23245482 0.70 L3MBTL1 (0.44) KDM4ESMN1; SMN2ALDH1A1LMNAGAA
SCHEMBL18524121 0.70 SMN1; SMN2 (0.46) SMN1; SMN2GAA
SCHEMBL28001848 0.69 TRPV1 (0.46) CYP2D6
SCHEMBL28001846 0.69 AKR1B1 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3405477-B1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-06-07 EP disclosed
US-11072634-B2 Inhibitors of transglutaminases ZEDIRA GMBH (DE) 2021-07-27 US disclosed
US-20190322700-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2019-10-24 US disclosed
CN-110088120-A inhibitors of transglutaminase 策迪拉有限公司 2019-08-02 CN disclosed
EP-3405477-A1 INHIBITORS OF TRANSGLUTAMINASES Zedira GmbH (DE) 2018-11-28 EP disclosed
WO-2018122419-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2018-07-05 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-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-10 US disclosed
EP-2334684-A1 PYRAZOLOPYRIMIDINES AND THEIR USE FOR THE TREATMENT OF CNS DISORDERS Boehringer Ingelheim International GmbH (DE) 2011-06-22 EP 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 (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-20120115863-A1 COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS CNR1, CNR2, CHRM5 KDM4E 1905/4885SMN1; SMN2 764/4885ALDH1A1 956/4885
US-20190322700-A1 INHIBITORS OF TRANSGLUTAMINASES TGM2, TGM3, TGM1 KDM4E 911/4885SMN1; SMN2 3418/4885ALDH1A1 1469/4885
US-11072634-B2 Inhibitors of transglutaminases TGM2, TGM3, TGM1 KDM4E 911/4885SMN1; SMN2 3418/4885ALDH1A1 1469/4885

“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.