SCHEMBL22589702

SCHEMBL22589702

O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(SC(F)(F)F)cc1

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 18/20 0.77
▸ ADCY8 P40145 7/20 0.69
▸ KDM4E B2RXH2 2/20 0.65
▸ LMNA P02545 2/20 0.65
▸ OPRK1 P41145 1/20 0.65
▸ RECQL P46063 1/20 0.65
▸ CCR6 P51684 1/20 0.65
▸ MEN1 O00255 1/20 0.55
▸ USP2 O75604 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL22589750 0.91 ADCY1 (0.62) ADCY1ADCY8KDM4ELMNAOPRK1
SCHEMBL22589858 0.90 ADCY1 (0.71) ADCY1ADCY8KDM4ELMNAOPRK1
SCHEMBL22589706 0.89 ADCY1 (0.67) ADCY1ADCY8KDM4ELMNAOPRK1
SCHEMBL17717010 0.88 ADCY1 (1.00) ADCY1ADCY8KDM4ELMNAOPRK1
SCHEMBL22589761 0.87 ADCY1 (0.72) ADCY1ADCY8KDM4ELMNAOPRK1
SCHEMBL22589765 0.87 ADCY1 (0.59) ADCY1ADCY8KDM4ELMNAOPRK1
SCHEMBL29586483 0.84 ADCY1 (0.54) ADCY1ADCY8KDM4ELMNAOPRK1
SCHEMBL22589780 0.84 ADCY1 (0.54) ADCY1ADCY8KDM4ELMNAOPRK1
SCHEMBL22589739 0.84 ADCY1 (0.57) ADCY1ADCY8KDM4ELMNAOPRK1
SCHEMBL20598199 0.82 ADCY1 (1.00) ADCY1ADCY8KDM4ELMNAOPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220249447-A1 CF3-, OCF3-, SCF3-, and SF5-Containing Antibacterial Agents PURDUE RESEARCH FOUNDATION 2022-08-11 — — US disclosed
EP-3958679-A1 CF3-, OCF3-, SCF3- AND SF5-CONTAINING ANTIBACTERIAL AGENTS Purdue Research Foundation (US) 2022-03-02 — — EP disclosed
WO-2020219792-A1 CF3-, OCF3-, SCF3- AND SF5-CONTAINING ANTIBACTERIAL AGENTS PURDUE RESEARCH FOUNDATION (US) 2020-10-29 — — WO disclosed
WO-2020219792-A1 CF3-, OCF3-, SCF3- AND SF5-CONTAINING ANTIBACTERIAL AGENTS PURDUE RESEARCH FOUNDATION (US) 2020-10-29 — — WO 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-20220249447-A1 CF3-, OCF3-, SCF3-, and SF5-Containing Antibacterial Agents SFXN3, CCR3, SF3A3 ADCY1 4672/4885ADCY8 3133/4885KDM4E 2632/4885

“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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