SCHEMBL2943065

SCHEMBL2943065

O=C(O)NCc1ccc(CO)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CA2 P00918 1/20 0.40
P2RX7 Q99572 10/20 0.40
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.35
METAP2 P50579 1/20 0.35

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
SCHEMBL16881366 0.83 KMT2A (0.44) CA2P2RX7L3MBTL1ALDH1A1
SCHEMBL5968915 0.80 P2RX7 (0.39) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL22469063 0.78 TSHR (0.39) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28116416 0.77 CA2 (0.40) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL25217366 0.76 CYP1A2 (0.53) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL522658 0.76 APOBEC3G (0.36) TSHRLMNAGAAL3MBTL1HTT
SCHEMBL3558621 0.76 P2RX7 (0.51) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL26672084 0.75 EPHX2 (0.43) TSHRCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL12234545 0.75 RPS6KA1 (0.43) CYP1A2CA2GAAL3MBTL1
SCHEMBL16396429 0.73 P2RX7 (0.55) P2RX7L3MBTL1ALDH1A1

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-7754742-B2 Imidazole carboxamides ELI LILLY AND COMPANY (US) 2010-07-13 US disclosed
US-20100016373-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY 2010-01-21 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-20100016373-A1 IMIDAZOLE CARBOXAMIDES CYP3A4, CYP2C9, AADAC TSHR 2923/4885CYP1A2 17/4885CYP2D6 58/4885

“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.