SCHEMBL12988895

SCHEMBL12988895

Cc1ncccc1-c1ccc(O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.62
▸ MKNK2 Q9HBH9 1/20 0.62
▸ DHODH Q02127 1/20 0.47
▸ ABL1 P00519 3/20 0.44
▸ ABCB1 P08183 2/20 0.44
▸ BCR P11274 2/20 0.44
▸ COMT P21964 1/20 0.44
▸ HSD17B1 P14061 1/20 0.43
▸ RPS6KA3 P51812 1/20 0.42
▸ USP7 Q93009 1/20 0.42
▸ FABP1 P07148 1/20 0.42
▸ PTGS1 P23219 2/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ RIPK1 Q13546 2/20 0.41
▸ AKT1 P31749 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ PRMT5 O14744 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL7662428 0.83 MKNK1 (0.61) MKNK1MKNK2DHODHCOMTPTGS1
SCHEMBL2757253 0.82 MKNK1 (0.59) MKNK1MKNK2DHODHFABP1PTGS1
SCHEMBL15730173 0.82 MKNK1 (0.59) MKNK1MKNK2DHODHPTGS1PTGS2
SCHEMBL30563610 0.81 MKNK1 (0.58) MKNK1MKNK2DHODHPTGS1PTGS2
SCHEMBL2084918 0.81 MKNK1 (0.58) MKNK1MKNK2DHODHPTGS1PTGS2
SCHEMBL28301632 0.81 MKNK1 (0.58) MKNK1MKNK2DHODHABL1COMT
SCHEMBL13368032 0.80 MKNK1 (0.62) MKNK1MKNK2DHODHPTGS1PTGS2
SCHEMBL20371666 0.80 MKNK1 (0.57) MKNK1MKNK2DHODHPTGS1PTGS2
SCHEMBL18162732 0.80 MKNK1 (0.57) MKNK1MKNK2DHODHABL1COMT
SCHEMBL22230844 0.80 CYP11B2 (0.47) MKNK1MKNK2DHODHABL1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020147739-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR 武汉朗来科技发展有限公司 2020-07-23 — — WO disclosed
EP-2694472-B1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2020-03-11 — — EP disclosed
EP-2917219-B1 HETEROAROMATIC COMPOUNDS AND THEIR USE AS DOPAMINE D1 LIGANDS PFIZER (US) 2017-09-27 — — EP disclosed
US-9527807-B2 Sulfonamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-27 — — US disclosed
EP-2694472-A2 SULFONAMIDE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2014-02-12 — — EP disclosed
US-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-01-23 — — US disclosed
WO-2012137982-A9 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-14 — — WO disclosed
WO-2012137982-A2 SULFONAMIDE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-11 — — 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 (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-20140024650-A1 SULFONAMIDE DERIVATIVE AND USE THEREOF GRIN2A, GRIN2B, SLC1A2 MKNK1 3233/4885MKNK2 2614/4885DHODH 709/4885

“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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