SCHEMBL7477443

SCHEMBL7477443

CC(=O)c1c(C(=O)O)c(C)n(C)c1C

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 2/20 0.46
LMNA P02545 4/20 0.43
TSHR P16473 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
USP2 O75604 1/20 0.39
HTT P42858 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.36
ATM Q13315 1/20 0.36
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
MAPK1 P28482 1/20 0.35
THRB P10828 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL70763 0.90 KDM4E (0.46) KDM4EALDH1A1LMNAUSP2POLB
SCHEMBL16731958 0.78 USP2 (0.44) KDM4ELMNAUSP2POLBKMT2A
SCHEMBL26967907 0.78 KDM4E (0.42) KDM4EALDH1A1LMNAUSP2POLB
SCHEMBL28801578 0.77 LMNA (0.47) KDM4EALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL14398892 0.76 KDM4E (1.00) KDM4EALDH1A1LMNATSHRHTT
SCHEMBL4813653 0.76 USP2 (0.61) KDM4EALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL26967940 0.73 KDM4E (0.39) KDM4ELMNATSHRUSP2KMT2A
SCHEMBL29954631 0.73 NOTUM (0.47) KDM4EALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL15507326 0.72 CYP3A4 (0.39) KDM4EALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL15330828 0.71 VDR (0.47) KDM4EALDH1A1LMNASMN1; SMN2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020035127-A1 Phenylalanine derivatives CELLTECH THERAPEUTIS, LIMITED 2002-03-21 US disclosed
US-6329372-B1 HETEROCYCLIC AMIDE COMPOUNDS ARE ABLE TO INHIBIT THE BINDING OF ALPHA4 INTEGRINS TO THEIR LIGANDS AND ARE OF USE IN THE PROPHYLAXIS AND TREATMENT OF IMMUNE OR INFLAMMATORY DISORDERS. CELLTECH THERAPEUTICS LIMITED (GB) 2001-12-11 US disclosed
EP-1051399-A1 PHENYLALANINE DERIVATIVES USEFUL AS PHARMACEUTICAL AGENTS CELLTECH THERAPEUTICS LIMITED (GB) 2000-11-15 EP disclosed
WO-1999037618-A1 PHENYLALANINE DERIVATIVES USEFUL AS PHARMACEUTICAL AGENTS CELLTECH THERAPEUTICS LIMITED (GB) 1999-07-29 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 (1 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-20020035127-A1 Phenylalanine derivatives PAH, VCAM1, IL4I1 KDM4E 833/4885ALDH1A1 506/4885LMNA 2376/4885

“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.