SCHEMBL17066970

SCHEMBL17066970

CCc1ncccc1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 15/20 0.60
▸ PTGS1 P23219 5/20 0.60
▸ MTOR P42345 2/20 0.49
▸ DRD1 P21728 1/20 0.49
▸ ATR Q13535 1/20 0.47

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
SCHEMBL20371519 0.86 CA2 (0.56) PTGS2PTGS1DRD1
SCHEMBL23501943 0.84 DRD1 (0.52) PTGS2PTGS1DRD1ATR
SCHEMBL20371667 0.81 IKBKB (0.48) —
SCHEMBL15730118 0.80 PTGS2 (0.67) PTGS2PTGS1DRD1
SCHEMBL20371609 0.78 SYK (0.46) —
SCHEMBL8150056 0.78 PTGS1 (0.42) PTGS2PTGS1
SCHEMBL6170026 0.78 PTGS2 (0.63) PTGS2PTGS1DRD1
SCHEMBL5350907 0.78 PTGS2 (0.63) PTGS2PTGS1DRD1
SCHEMBL25339185 0.78 PTGS2 (0.63) PTGS2PTGS1DRD1
SCHEMBL17066980 0.77 TDP1 (0.41) PTGS2PTGS1

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-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 — — US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 — — US disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 — — EP 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-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN PTGS2 2700/4885PTGS1 1484/4885MTOR 676/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PTGS2 2700/4885PTGS1 1484/4885MTOR 676/4885

“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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