SCHEMBL12239043

SCHEMBL12239043

NCC(O)CC(O)CNC[C@@H](O)C[C@@H](O)CN

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 3/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 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
SCHEMBL12238421 1.00 GABRR1 (0.35) GABRR1LMNACYP1A2CYP2C9TSHR
SCHEMBL12238423 1.00 GABRR1 (0.35) GABRR1LMNACYP1A2CYP2C9TSHR
SCHEMBL12239045 1.00 GABRR1 (0.35) GABRR1LMNACYP1A2CYP2C9TSHR
SCHEMBL12239034 1.00 GABRR1 (0.35) GABRR1LMNACYP1A2CYP2C9TSHR
SCHEMBL12238422 1.00 GABRR1 (0.35) GABRR1LMNACYP1A2CYP2C9TSHR
SCHEMBL2520512 1.00 GABRR1 (0.35) GABRR1LMNACYP1A2CYP2C9TSHR
SCHEMBL12238424 1.00 GABRR1 (0.35) GABRR1LMNACYP1A2CYP2C9TSHR
SCHEMBL1897862 1.00 GABRR1 (0.35) GABRR1LMNACYP1A2CYP2C9TSHR
SCHEMBL12239044 1.00 GABRR1 (0.35) GABRR1LMNACYP1A2CYP2C9TSHR
SCHEMBL12239048 1.00 GABRR1 (0.35) GABRR1LMNACYP1A2CYP2C9TSHR

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-20110251289-A1 NEW COMPOUNDS FOR THE TREATMENT OF CANCER CSIR (ZA) 2011-10-13 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-20110251289-A1 NEW COMPOUNDS FOR THE TREATMENT OF CANCER DUT, BAD, TYMS GABRR1 2885/4885LMNA 3575/4885CYP1A2 1079/4885

“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.