SCHEMBL22628424

SCHEMBL22628424

CC(=N)c1cccc(S(F)(F)(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 3/20 0.44
▸ AKR1C2 P52895 3/20 0.44
▸ KDM1A O60341 1/20 0.36
▸ NOS1 P29475 3/20 0.36
▸ PRSS1 P07477 2/20 0.35
▸ PRSS2 P07478 2/20 0.35
▸ PRSS3 P35030 2/20 0.35
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ TAS2R14 Q9NYV8 1/20 0.34
▸ NOS3 P29474 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ PDE2A O00408 1/20 0.31
▸ C1S P09871 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ PLG P00747 1/20 0.31
▸ CBLB Q13191 1/20 0.30
▸ ACHE P22303 1/20 0.30

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
SCHEMBL29495930 0.80 AKR1C3 (0.51) AKR1C3AKR1C2PTGS1PTGS2TAS2R14
SCHEMBL1195462 0.80 AKR1C3 (0.51) AKR1C3AKR1C2PTGS1PTGS2TAS2R14
SCHEMBL1169066 0.73 AKR1C3 (0.72) AKR1C3AKR1C2PTGS1PTGS2TAS2R14
SCHEMBL17526273 0.72 CES2 (0.56) PTGS1PTGS2NPC1RAB9AACHE
SCHEMBL1966415 0.72 KDM1A (0.48) AKR1C3AKR1C2KDM1APTGS1PTGS2
SCHEMBL477610 0.72 AKR1C3 (0.51) AKR1C3AKR1C2KDM1APTGS1PTGS2
SCHEMBL28967024 0.72 AKR1C3 (0.47) AKR1C3AKR1C2PTGS1PTGS2TAS2R14
SCHEMBL23268280 0.72 PRSS1 (0.54) NOS1PRSS1PRSS2PRSS3NOS3
SCHEMBL20560610 0.71 AKR1C3 (0.50) AKR1C3AKR1C2KDM1APTGS1PTGS2
SCHEMBL4874520 0.70 CA12 (0.52) ACHE

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-20220162253-A1 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2022-05-26 — — US disclosed
WO-2020221209-A1 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海和誉生物医药科技有限公司 2020-11-05 — — 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-20220162253-A1 CD73 INHIBITOR, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF ENTPD5, ENTPD1, NT5E AKR1C3 821/4885AKR1C2 571/4885KDM1A 729/4885

“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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