SCHEMBL353005

SCHEMBL353005

CC1(C(N)=O)CCC(=O)O1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 2/20 0.33
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.33
PRKCA P17252 7/20 0.33
LMNA P02545 2/20 0.32
CYP2C9 P11712 1/20 0.31
PKM P14618 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
SCHEMBL4592585 0.81 CYP1A2 (0.49) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL11451306 0.81 ALDH1A1 (0.41) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL11442064 0.81 CYP1A2 (0.49) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL11524479 0.78 ALDH1A1 (0.40) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL92282 0.72
SCHEMBL24591296 0.72 ALDH1A1 (0.39) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL11524516 0.69 CES2 (0.37) ALDH1A1KDM4ECYP1A2CYP3A4MAPT
SCHEMBL166075 0.69
SCHEMBL2059274 0.68 PTGS1 (0.76) CYP1A2CYP3A4MAPTCYP2C19TSHR
SCHEMBL30463820 0.68 PTGS1 (0.76) CYP1A2CYP3A4MAPTCYP2C19TSHR

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-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA ALDH1A1 2806/4885KDM4E 1862/4885CYP1A2 2181/4885

“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.