SCHEMBL14458160

SCHEMBL14458160

COc1cccc(CC(=O)Nc2cc(Br)ccc2NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CCR9 P51686 2/20 0.49
▸ MMP2 P08253 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ MMP14 P50281 1/20 0.48
▸ ADAM17 P78536 1/20 0.48
▸ PTGDR2 Q9Y5Y4 1/20 0.48
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ EGFR P00533 4/20 0.45
▸ ERBB2 P04626 4/20 0.45
▸ ALDH1A1 P00352 1/20 0.43
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ CSNK1D P48730 2/20 0.42
▸ KCNQ2 O43526 1/20 0.42
▸ GAA P10253 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
SCHEMBL16879519 0.76 NPC1 (0.52) LMNAALDH1A1GAANPC1RAB9A
SCHEMBL7577285 0.75 FFAR4 (0.59) LMNACCR9ALDH1A1KEAP1NFE2L2
SCHEMBL3243266 0.75 CCR9 (0.70) LMNACCR9
SCHEMBL14601703 0.73 CCR9 (0.57) LMNACCR9NPC1RAB9A
SCHEMBL5597820 0.71 CCR9 (0.72) CCR9
SCHEMBL5597824 0.71 CCR9 (0.70) CCR9
SCHEMBL14601702 0.70 CCR9 (0.56) LMNACCR9KCNQ2RAB9A
SCHEMBL5597983 0.70 CCR9 (0.60) CCR9
SCHEMBL5597849 0.70 CCR9 (0.55) LMNACCR9ALDH1A1GAA
SCHEMBL29016621 0.69 NLRP3 (0.53) LMNACA12CA1CA2CA9

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
EP-1815860-A2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2007-08-08 — — EP disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 — — US disclosed
US-20070021509-A1 Phosphate transport inhibitors JOZEFIAK THOMAS H 2007-01-25 — — 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 (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-20070021509-A1 Phosphate transport inhibitors SLC34A2, SLC34A1, SLC20A1 POLB 2611/4885LMNA 4385/4885CCR9 4370/4885

“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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