SCHEMBL6439722

SCHEMBL6439722

Cc1c(Cl)cc(NC(=O)C[C@@H](C)CC(=O)O)c(O)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 2/20 0.40
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BRD4 O60885 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
SCHEMBL12846467 0.85 MEN1 (0.35) SMN1; SMN2HTTLMNAKDM4EALDH1A1
SCHEMBL12106916 0.82 TSHR (0.46) SMN1; SMN2HTTLMNAKDM4EALDH1A1
SCHEMBL6944416 0.79 ALDH1A1 (0.47) SMN1; SMN2HTTLMNAKDM4EALDH1A1
SCHEMBL9179594 0.76 POLB (0.52) HTTLMNAKDM4EALDH1A1POLB
SCHEMBL11054920 0.75 KDM4E (0.36) HTTLMNAKDM4EALDH1A1THRA
SCHEMBL6416431 0.75 GPR35 (0.44) ALDH1A1HSD17B10MEN1KMT2ANPC1
SCHEMBL10448522 0.74 SMN1; SMN2 (0.51) SMN1; SMN2HTTLMNAKDM4EALDH1A1
SCHEMBL6944637 0.74 ALDH1A1 (0.52) HTTALDH1A1POLBMEN1KMT2A
SCHEMBL7027625 0.74 ALDH1A1 (0.41) SMN1; SMN2HTTLMNAKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6942166 0.73 ALDH1A1 (0.54) HTTLMNAALDH1A1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846844-B2 Compounds and compositions for delivering active agents EMISPHERE TECHNOLOGIES, INC. (US) 2005-01-25 US disclosed
US-20030220226-A1 Compounds and compositions for delivering active agents NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2003-11-27 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 (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-20030220226-A1 Compounds and compositions for delivering active agents SERPINB1, ELANE, MMP8 SMN1; SMN2 119/4885HTT 547/4885LMNA 350/4885

“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.