SCHEMBL25217366

SCHEMBL25217366

O=C(O)NCc1ccccc1CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
HPGD P15428 4/20 0.53
GAA P10253 3/20 0.53
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 3/20 0.49
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL9156343 0.91 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL29935885 0.91 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL11157053 0.89 CYP1A2 (0.53) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL27682450 0.83 ALDH1A1 (0.53) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL4887935 0.82 CYP1A2 (0.61) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL29675775 0.82 SETDB1 (0.53) HPGDGAALMNAL3MBTL1ALDH1A1
SCHEMBL27675086 0.82 HPGD (0.47) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL8603676 0.81 TSHR (0.56) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
Iodide SCHEMBL30583028 0.80 CYP2D6 (0.77) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
Hydrochloric Acid SCHEMBL17258977 0.80 CYP1A2 (0.59) CYP1A2CYP2D6CYP2C9TSHRCYP2C19

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-20230203071-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2023-06-29 US disclosed
WO-2023102529-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2023-06-08 WO 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-20230203071-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION HAVCR2, MAVS, CD4 CYP1A2 2585/4885CYP2D6 2283/4885CYP2C9 3213/4885

“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.