SCHEMBL25210352

SCHEMBL25210352

COCc1nc(C)cc(O)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP3A4 P08684 6/20 0.43
ACHE P22303 2/20 0.43
HCAR2 Q8TDS4 1/20 0.41
POLB P06746 3/20 0.40
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 2/20 0.40
RECQL P46063 2/20 0.40
GAA P10253 1/20 0.40
G6PD P11413 1/20 0.40
MCL1 Q07820 1/20 0.40
PTPN1 P18031 1/20 0.38
PTPN11 Q06124 1/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL30063260 1.00 MAPK1 (0.45) MAPK1ALDH1A1SMN1; SMN2CYP3A4ACHE
SCHEMBL29812443 0.86 POLB (0.42) ALDH1A1CYP3A4ACHEPOLBKDM4E
SCHEMBL2130302 0.76 ALDH1A1 (0.51) MAPK1ALDH1A1SMN1; SMN2CYP3A4ACHE
SCHEMBL17874283 0.75 MAPK1 (0.52) MAPK1ALDH1A1SMN1; SMN2CYP3A4ACHE
SCHEMBL3559208 0.73 ALDH1A1 (0.50) MAPK1ALDH1A1SMN1; SMN2CYP3A4ACHE
SCHEMBL9427465 0.71 P2RX3 (0.38) HCAR2KDM4EKMT2AMEN1P2RX3
SCHEMBL4355239 0.71 CYP3A4 (0.47) ALDH1A1SMN1; SMN2CYP3A4ACHEHCAR2
SCHEMBL18614443 0.70 HCAR2 (0.47) MAPK1ALDH1A1SMN1; SMN2HCAR2POLB
SCHEMBL30174197 0.70 P2RX3 (0.40) MAPK1ALDH1A1HCAR2KMT2AMEN1
SCHEMBL25529033 0.70 P2RX3 (0.40) MAPK1ALDH1A1HCAR2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 US disclosed
US-20230151003-A1 COMPOUNDS AND METHODS OF USE EXELIXIS INC (US) 2023-05-18 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-20230151003-A1 COMPOUNDS AND METHODS OF USE PRKACB, PRKACA, PRKX MAPK1 310/4885ALDH1A1 3998/4885SMN1; SMN2 1368/4885

“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.