SCHEMBL21975378

SCHEMBL21975378

CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCCCCCCN)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 18/20 0.68
▸ CA12 O43570 17/20 0.68
▸ CA1 P00915 12/20 0.66
▸ CA2 P00918 6/20 0.66
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ SLC22A6 Q4U2R8 1/20 0.56
▸ SLC22A8 Q8TCC7 1/20 0.56
▸ ABCC2 Q92887 1/20 0.56
▸ SLC22A12 Q96S37 1/20 0.56
▸ UGT1A7 Q9HAW7 1/20 0.56
▸ SLC22A11 Q9NSA0 1/20 0.56

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
SCHEMBL24162599 0.91 CA9 (0.73) CA9CA12CA1CA2RAB9A
SCHEMBL27268217 0.91 CA9 (0.73) CA9CA12CA1CA2RAB9A
SCHEMBL21975382 0.89 CA9 (0.70) CA9CA12CA1CA2RAB9A
SCHEMBL27268243 0.89 CA9 (0.77) CA9CA12CA1CA2RAB9A
SCHEMBL24162775 0.87 CA9 (0.70) CA9CA12CA1CA2RAB9A
SCHEMBL21975636 0.83 CA9 (0.61) CA9CA12CA1CA2RAB9A
SCHEMBL4016252 0.80 CA9 (0.78) CA9CA12CA1CA2RAB9A
SCHEMBL26314095 0.79 CA9 (0.57) CA9CA12CA1CA2RAB9A
SCHEMBL31017650 0.79 CA2 (0.76) CA9CA12CA1CA2
SCHEMBL29300397 0.78 L3MBTL1 (0.71) CA2RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240207212-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION UNIVERSITY OF MASSACHUSETTS 2024-06-27 — — US disclosed
US-20240207212-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION UNIVERSITY OF MASSACHUSETTS 2024-06-27 — — US disclosed
US-20230257357-A1 PROBENECID COMPOUNDS FOR THE TREATMENT OF INFLAMMASOME-MEDIATED LUNG DISEASE BACAINN BIOTHERAPEUTICS, LTD. (KY) 2023-08-17 — — US disclosed
US-20230257357-A1 PROBENECID COMPOUNDS FOR THE TREATMENT OF INFLAMMASOME-MEDIATED LUNG DISEASE BACAINN BIOTHERAPEUTICS, LTD. (KY) 2023-08-17 — — US disclosed
US-20200138756-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION UNIVERSITY OF BATH (GB) 2020-05-07 — — 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 (3 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-20240207212-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION ABCC3, ABCC1, ABCE1 CA9 4166/4885CA12 4233/4885CA1 4403/4885
US-20230257357-A1 PROBENECID COMPOUNDS FOR THE TREATMENT OF INFLAMMASOME-MEDIATED LUNG DISEASE NLRP3, PYCARD, NLRP1 CA9 2197/4885CA12 3513/4885CA1 3887/4885
US-20200138756-A1 METHODS AND COMPOSITIONS FOR TREATING INFLAMMATION ABCC3, ABCC1, ABCE1 CA9 4166/4885CA12 4233/4885CA1 4403/4885

“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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