SCHEMBL16248203

SCHEMBL16248203

CC(C)c1ncc(C(=O)O)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA4 P22748 2/20 0.42
▸ CA6 P23280 2/20 0.42
▸ CA7 P43166 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ CA14 Q9ULX7 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CA3 P07451 1/20 0.42
▸ SELL P14151 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SELP P16109 1/20 0.42
▸ FUT4 P22083 1/20 0.42
▸ DPP4 P27487 1/20 0.42

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
SCHEMBL20235193 0.83 PTGS2 (0.37) MAPTCA12CA1CA2CA4
SCHEMBL19706324 0.81 HCAR2 (0.44) KDM4EALDH1A1HSD17B10TDP1HCAR3
SCHEMBL17702572 0.81 KDM4E (0.50) KDM4EALDH1A1MAPTHSD17B10CA12
SCHEMBL12763742 0.80 HCAR2 (0.43) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL19698928 0.80 HCAR2 (0.43) KDM4EALDH1A1HSD17B10LMNAMAPK1
SCHEMBL4121189 0.75 HCAR2 (0.48) KDM4EALDH1A1MAPTHSD17B10CA12
SCHEMBL4334828 0.74 GABRA1 (0.33) KDM4EALDH1A1MAPTCA1CA2
SCHEMBL27751624 0.74 KDM4E (0.50) KDM4EALDH1A1MAPTHSD17B10CA12
SCHEMBL24249007 0.72 KDM4E (0.44) KDM4ELMNASELLSELPHCAR2
SCHEMBL19857450 0.72 KDM4E (0.48) KDM4EALDH1A1MAPTHSD17B10CA12

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-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2018-06-07 — — US disclosed
US-9873687-B2 N-(heteroaryl)-sulfonamide derivatives useful as S100-inhibitors ACTIVE BIOTECH AB (SE) 2018-01-23 — — US disclosed
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-04-28 — — US disclosed
EP-2925743-B1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2016-02-03 — — EP disclosed
WO-2014184234-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS ACTIVE BIOTECH AB (SE) 2014-11-20 — — 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 (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-20180155330-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100B, S100A10 KDM4E 3512/4885ALDH1A1 4109/4885MAPT 380/4885
US-20160115158-A1 N-(HETEROARYL)-SULFONAMIDE DERIVATIVES USEFUL AS S100-INHIBITORS S100A9, S100A4, S100B KDM4E 3670/4885ALDH1A1 4370/4885MAPT 311/4885

“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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