SCHEMBL31019956

SCHEMBL31019956

COc1c(C=O)cn(S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1-c1c(F)cc(F)cc1F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.35
▸ PTGS1 P23219 2/20 0.35
▸ PSEN1 P49768 8/20 0.34
▸ PSEN2 P49810 8/20 0.34
▸ APH1B Q8WW43 8/20 0.34
▸ NCSTN Q92542 8/20 0.34
▸ APH1A Q96BI3 8/20 0.34
▸ PSENEN Q9NZ42 8/20 0.34
▸ TRPA1 O75762 2/20 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
SCHEMBL31019967 0.89 ERN1 (0.40) PTGS2PTGS1
SCHEMBL25199320 0.89 ERN1 (0.40) PTGS2PTGS1
SCHEMBL31019964 0.83 POLB (0.35) —
SCHEMBL25187642 0.83 POLB (0.35) —
SCHEMBL31019954 0.83 EPAS1 (0.36) PTGS2PTGS1PSEN1PSEN2APH1B
SCHEMBL31019948 0.82 PTGS2 (0.36) PTGS2PTGS1PSEN1PSEN2APH1B
SCHEMBL20530220 0.81 MEN1 (0.38) —
SCHEMBL30428083 0.80 TRPA1 (0.36) PTGS2PTGS1TRPA1
SCHEMBL25193465 0.79 MAPK1 (0.38) PTGS2PTGS1PSEN1PSEN2APH1B
SCHEMBL30426876 0.79 MAPK1 (0.38) PTGS2PTGS1PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250051275-A1 PYRROLE DERIVATIVE OR PHARMACEUTICALLY OR SITOLOGICALLY ACCEPTABLE SALTS THEREOF, AND COMPOSITION FOR PREVENTION, AMELIORATION OR TREATMENT OF GASTROINTESTINAL DISORDERS COMPRISING SAME AS ACTIVE INGREDIENT HANA PHARM CO., LTD. (KR) 2025-02-13 — — US disclosed
EP-4434966-A1 PYRROLE DERIVATIVE OR PHARMACEUTICALLY OR SITOLOGICALLY ACCEPTABLE SALT THEREOF, AND COMPOSITION FOR PREVENTION, AMELIORATION OR TREATMENT OF GASTROINTESTINAL DISORDERS COMPRISING SAME AS ACTIVE INGREDIENT Hana Pharm. Co. Ltd. (KR) 2024-09-25 — — EP disclosed
CN-118451060-A Pyrrole derivative or pharmaceutically acceptable salt thereof and composition for preventing, improving or treating gastrointestinal diseases comprising the same as active ingredient 合娜制药株式会社 2024-08-06 — — CN 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-20250051275-A1 PYRROLE DERIVATIVE OR PHARMACEUTICALLY OR SITOLOGICALLY ACCEPTABLE SALTS THEREOF, AND COMPOSITION FOR PREVENTION, AMELIORATION OR TREATMENT OF GASTROINTESTINAL DISORDERS COMPRISING SAME AS ACTIVE INGREDIENT STOM, SI, PGC PTGS2 970/4885PTGS1 672/4885PSEN1 2995/4885

“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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