SCHEMBL11894968

SCHEMBL11894968

O=C(NS(=O)(=O)c1ccccc1)c1cccc(-c2cc(C(=O)O)c3c(ccc4nn(-c5ccccc5)nc43)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 7/20 0.42
▸ BCL2L1 Q07817 6/20 0.42
▸ KAT6A Q92794 5/20 0.40
▸ PTGS2 P35354 3/20 0.39
▸ PTGS1 P23219 2/20 0.39
▸ EGFR P00533 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ P4HTM Q9NXG6 1/20 0.38
▸ CYP19A1 P11511 1/20 0.37

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
SCHEMBL11894873 0.92 P4HTM (0.40) MCL1BCL2L1PTGS2PTGS1EGFR
SCHEMBL11895142 0.91 MCL1 (0.42) MCL1BCL2L1KAT6APTGS2PTGS1
SCHEMBL11894666 0.90 MYC (0.43) PARP1CYP19A1
SCHEMBL11894516 0.88 MAPT (0.44) KAT6APARP1CYP19A1
SCHEMBL11895177 0.85 CYP19A1 (0.40) PARP1CYP19A1
SCHEMBL11894532 0.83 PLA2G2A (0.41) MCL1BCL2L1PTGS2PTGS1EGFR
SCHEMBL11894570 0.83 CASP1 (0.46) —
SCHEMBL11895117 0.82 PLA2G2A (0.41) PARP1
SCHEMBL11895186 0.82 PHGDH (0.41) EGFRCYP19A1
SCHEMBL11894883 0.80 MAPT (0.45) EGFRCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2487175-A1 PHARMACEUTICAL PRODUCT CONTAINING AROMATIC HETEROCYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2012-08-15 — — EP disclosed
US-20120196854-A1 PHARMACEUTICAL COMPOSITION COMPRISING AROMATIC HETEROCYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-02 — — 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-20120196854-A1 PHARMACEUTICAL COMPOSITION COMPRISING AROMATIC HETEROCYCLIC COMPOUND CYP2C18, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP2B6 MCL1 3520/4885BCL2L1 3300/4885KAT6A 386/4885

“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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