SCHEMBL22066299

SCHEMBL22066299

C[C@H](NP(=O)(Oc1ccc(I)cc1C(F)(F)F)Oc1cccc2ccccc12)C(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 1/20 0.39
▸ HTT P42858 1/20 0.36
▸ CASP1 P29466 1/20 0.35
▸ SUCNR1 Q9BXA5 1/20 0.34
▸ MRGPRX4 Q96LA9 3/20 0.34
▸ ELANE P08246 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TACR1 P25103 1/20 0.34
▸ PTPN1 P18031 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
SCHEMBL20833582 0.90 BTN3A1 (0.43) BTN3A1HTTCASP1MRGPRX4ELANE
SCHEMBL22066301 0.90 MRGPRX4 (0.43) BTN3A1HTTMRGPRX4KMT2AMAPT
SCHEMBL22065038 0.89 BTN3A1 (0.48) BTN3A1ELANE
SCHEMBL22065164 0.89 BTN3A1 (0.40) BTN3A1CASP1MRGPRX4ELANEKMT2A
SCHEMBL22065648 0.87 BTN3A1 (0.39) BTN3A1HTTCASP1MRGPRX4ELANE
SCHEMBL22066300 0.86 BTN3A1 (0.39) BTN3A1HTTCASP1MRGPRX4ELANE
SCHEMBL22066298 0.86 TACR1 (0.42) BTN3A1MRGPRX4KMT2AALDH1A1KDM4E
SCHEMBL22065166 0.85 BTN3A1 (0.47) BTN3A1CASP1MRGPRX4ELANEMAPT
SCHEMBL22066006 0.85 BTN3A1 (0.38) BTN3A1CASP1MRGPRX4ELANEKMT2A
SCHEMBL20833694 0.84 BTN3A1 (0.43) BTN3A1CASP1MRGPRX4ELANEKMT2A

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 3894/4885CASP1 4061/4885
US-20220402962-A1 SYNTHESIS OF PHOSPHATE DERIVATIVES PNP, NTPCR, TYMP BTN3A1 2948/4885HTT 4051/4885CASP1 3460/4885

“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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