SCHEMBL25966964

SCHEMBL25966964

CCCn1nc2ccccc2c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
PTGER4 P35408 8/20 0.46
TSHR P16473 2/20 0.46
MPO P05164 3/20 0.46
HPGD P15428 2/20 0.46
ATM Q13315 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HTT P42858 1/20 0.46
HCAR3 P49019 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL18073156 0.88 ALDH1A1 (0.48) ALDH1A1PTGER4TSHRMPOHPGD
SCHEMBL3592059 0.87 PTGER4 (0.48) ALDH1A1PTGER4HPGDATMKDM4E
SCHEMBL2556362 0.84 PTGER4 (0.49) PTGER4
SCHEMBL18073157 0.84 ALDH1A1 (0.44) ALDH1A1PTGER4TSHRMPOHPGD
SCHEMBL15880124 0.84 ROCK1 (0.48) ALDH1A1PTGER4ATMCYP1A2KDM4E
SCHEMBL3606313 0.84 MPO (0.61) ALDH1A1PTGER4MPOHPGDCYP2C9
SCHEMBL18073158 0.82 ALDH1A1 (0.43) ALDH1A1PTGER4TSHRMPOHPGD
SCHEMBL25969261 0.81 PTGER4 (0.46) PTGER4
SCHEMBL30615586 0.80 PTGER4 (0.47) PTGER4MPOATM
SCHEMBL1563562 0.78 KDM5A (0.48) ALDH1A1PTGER4TSHRHPGDSMN1; SMN2

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-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 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-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 ALDH1A1 4633/4885PTGER4 2573/4885TSHR 4477/4885

“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.