SCHEMBL22066300

SCHEMBL22066300

C[C@H](NP(=O)(Oc1c(I)cccc1C(F)(F)F)Oc1cccc2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 1/20 0.39
▸ HTT P42858 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ TACR1 P25103 3/20 0.35
▸ PPARG P37231 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ ELANE P08246 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PSMB5 P28074 1/20 0.34

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
SCHEMBL22065165 0.91 BTN3A1 (0.42) BTN3A1CASP1ELANEALDH1A1KMT2A
SCHEMBL20833582 0.90 BTN3A1 (0.43) BTN3A1HTTPPARGSLC6A4CASP1
SCHEMBL22065046 0.90 BTN3A1 (0.39) BTN3A1HTTMCL1SLC6A4CASP1
SCHEMBL22066302 0.90 BTN3A1 (0.39) BTN3A1HTTMCL1SLC6A4CASP1
SCHEMBL22065041 0.89 BTN3A1 (0.49) BTN3A1ELANE
SCHEMBL20833694 0.87 BTN3A1 (0.43) BTN3A1CASP1ELANEALDH1A1KMT2A
SCHEMBL22065157 0.87 BTN3A1 (0.39) BTN3A1CASP1ELANEALDH1A1KDM4E
SCHEMBL22066276 0.87 MEN1 (0.39) BTN3A1HTTSLC6A4CASP1ALDH1A1
SCHEMBL22066299 0.86 BTN3A1 (0.39) BTN3A1HTTTACR1CASP1ELANE
SCHEMBL22065801 0.86 BTN3A1 (0.42) BTN3A1CASP1ELANEALDH1A1KDM4E

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-20220402962-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES NuCana plc (GB) 2022-12-22 — — US disclosed
US-20200181186-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES NuCana plc (GB) 2020-06-11 — — 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-20200181186-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PPA1, PPIP5K2, TYMP BTN3A1 4531/4885HTT 3894/4885MCL1 387/4885
US-20220402962-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PNP, NTPCR, TYMP BTN3A1 2948/4885HTT 4051/4885MCL1 1301/4885

“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.

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