SCHEMBL14075358

SCHEMBL14075358

CC1=C(C)N(C)C(=O)CCN1CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ ACE P12821 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ RECQL P46063 1/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ TSHR P16473 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ GSK3A P49840 1/20 0.31

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
SCHEMBL14075356 0.78 CHRM2 (0.32) POLBGAA
SCHEMBL43400 0.77 — —
SCHEMBL6361223 0.77 TSHR (0.50) LMNAACEALDH1A1CYP3A4KMT2A
SCHEMBL13621201 0.71 GAA (0.50) LMNAACEALDH1A1CYP3A4KDM4E
SCHEMBL948990 0.66 TSHR (0.68) LMNAACEALDH1A1KMT2ACYP2D6
SCHEMBL7504798 0.66 KMT2A (0.51) LMNAALDH1A1KDM4ETDP1KMT2A
SCHEMBL17377709 0.66 ACE (0.42) LMNAACEALDH1A1CYP3A4KMT2A
SCHEMBL6361822 0.66 PLA2G10 (0.41) LMNAACEALDH1A1KDM4EKMT2A
SCHEMBL10285400 0.66 LMNA (0.41) LMNAACEALDH1A1CYP3A4KDM4E
SCHEMBL907413 0.64 CYP2D6 (0.51) LMNAACEALDH1A1CYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221082-A1 Ligands of Integrin Receptors ABBOTT GMBH & CO. KG (DE) 2008-09-11 — — 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 (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-20080221082-A1 Ligands of Integrin Receptors ITGB3, ITGAV, ITGA2B LMNA 2759/4885ACE 3776/4885ALDH1A1 2222/4885

“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.

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