SCHEMBL22101690

SCHEMBL22101690

Oc1ccc(C(=N\N=C(/S)NCC(F)(F)F)/C(=N/N=C(\S)NCC(F)(F)F)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 7/20 0.42
▸ CES2 O00748 1/20 0.34
▸ ESR2 Q92731 2/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ HDAC3 O15379 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ESRRB O95718 1/20 0.31

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
SCHEMBL22101612 0.93 KDM4E (0.33) ESR1HDAC3MEN1KMT2ARAB9A
SCHEMBL22101822 0.89 ESR1 (0.31) ESR1
SCHEMBL22101651 0.89 NPC1 (0.38) MEN1KMT2ALMNAMAPTRAB9A
SCHEMBL22101657 0.88 HSD11B1 (0.41) MEN1KMT2AMAPTRAB9A
SCHEMBL22101639 0.88 ITGA1 (0.32) ESR1
SCHEMBL22101959 0.88 NPC1 (0.35) MEN1KMT2AMAPTRAB9A
SCHEMBL22102004 0.88 SMN1; SMN2 (0.40) CES2MEN1KMT2ALMNAMAPT
SCHEMBL22101675 0.88 MEN1 (0.32) ESR1MEN1KMT2ALMNAMAPT
SCHEMBL22101679 0.88 DAO (0.38) CES2LMNA
SCHEMBL22101656 0.88 LMNA (0.43) CES2MEN1KMT2ALMNAMAPT

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 ESR1 1937/4885CES2 701/4885ESR2 2842/4885
US-20200188430-A1 THERAPEUTIC METAL COMPLEXES AND LIGANDS AND METHODS OF MAKING AND USING THE SAME TUFM, SMN1; SMN2, MCU ESR1 1937/4885CES2 701/4885ESR2 2842/4885

“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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