SCHEMBL21056852

SCHEMBL21056852

COC(=O)c1c[nH]c(=O)cc1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
CYP2C19 P33261 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NR4A2 P43354 3/20 0.46
CREBBP Q92793 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRA3 P34903 1/20 0.44

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
SCHEMBL21056739 0.84 PTPN1 (0.50) ALDH1A1TSHRSMN1; SMN2GABRA1GABRB1
SCHEMBL4532434 0.81 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL17156683 0.78 HTR6 (0.49) ALDH1A1NR4A2CREBBPKDM4EAXL
SCHEMBL21056612 0.77 NR4A2 (0.56) ALDH1A1MAPTNR4A2CREBBPGABRA1
SCHEMBL905244 0.76 ALDH1A1 (0.63) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL29029109 0.75 HSP90AA1 (0.55) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL30694759 0.75 ALDH1A1 (0.42) ALDH1A1MAPTTSHRNR4A2CREBBP
SCHEMBL28208639 0.74 MTNR1A (0.59) ALDH1A1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL1741537 0.74 PLA2G2A (0.52) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT
Bicarbonate SCHEMBL27492793 0.74 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP3A4CYP2D6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780821-B2 Inhibitors of fibroblast activation protein Praxis Biotech LLC (US) 2023-10-10 US disclosed
US-11780821-B2 Inhibitors of fibroblast activation protein Praxis Biotech LLC (US) 2023-10-10 US disclosed
US-11780821-B2 Inhibitors of fibroblast activation protein Praxis Biotech LLC (US) 2023-10-10 US disclosed
CN-112105354-A Fibroblast activation protein inhibitor 普拉西斯生物技术有限责任公司 2020-12-18 CN disclosed
US-20190185451-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN Praxis Biotech LLC 2019-06-20 US disclosed
US-20190185451-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN Praxis Biotech LLC 2019-06-20 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 (2 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-20190185451-A1 INHIBITORS OF FIBROBLAST ACTIVATION PROTEIN FAP, FIBP, FRS2 ALDH1A1 3702/4885CYP1A2 4573/4885CYP3A4 4744/4885
US-11780821-B2 Inhibitors of fibroblast activation protein FAP, FIBP, FRS2 ALDH1A1 3702/4885CYP1A2 4573/4885CYP3A4 4744/4885

“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.