SCHEMBL22101685

SCHEMBL22101685

CN/C(S)=N/N=C(C)/C(=N/N=C(\S)NC)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.36
▸ CES1 P23141 1/20 0.36
▸ SRD5A2 P31213 2/20 0.36
▸ NR4A1 P22736 1/20 0.36
▸ NR4A2 P43354 1/20 0.36
▸ NR4A3 Q92570 1/20 0.36
▸ PTGS1 P23219 2/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ PAX8 Q06710 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ KIF11 P52732 1/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ MTOR P42345 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP2C8 P10632 1/20 0.32

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
SCHEMBL22101593 0.89 — —
SCHEMBL22101585 0.83 METTL3 (0.34) CES2CES1GAA
SCHEMBL22101610 0.81 ALDH1A1 (0.34) CES2CES1SRD5A2GAA
SCHEMBL22101576 0.81 LMNA (0.39) CES2CES1SRD5A2GAA
SCHEMBL22101951 0.81 — —
SCHEMBL22101613 0.81 ESR1 (0.33) GAA
SCHEMBL22101983 0.80 CYP19A1 (0.35) —
SCHEMBL22101668 0.80 TSHR (0.39) SRD5A2GAA
SCHEMBL22101658 0.80 KMT2A (0.33) CES2CES1GAA
SCHEMBL22101956 0.80 GAA (0.37) CES2CES1GAA

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-20230172977-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME OREGON STATE UNIVERSITY (US) 2023-06-08 — — US disclosed
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME OREGON STATE UNIVERSITY (US) 2020-06-18 — — 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-20230172977-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU CES2 701/4885CES1 3720/4885SRD5A2 4224/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU CES2 701/4885CES1 3720/4885SRD5A2 4224/4885

“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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