SCHEMBL11895094

SCHEMBL11895094

CS(=O)(=O)CNC(=O)c1ccc(-c2cc(C(=O)O)c3c(ccc4nn(-c5ccccc5)nc43)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.41
▸ PTGES O14684 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ BRAF P15056 1/20 0.38
▸ HDAC1 Q13547 2/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ DHODH Q02127 3/20 0.36
▸ PDE10A Q9Y233 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL11895177 0.92 CYP19A1 (0.40) CYP19A1PTGESKDM4EALDH1A1HSD17B10
SCHEMBL11894883 0.90 MAPT (0.45) CYP19A1PTGESEGFRBRAFHDAC1
SCHEMBL11895186 0.89 PHGDH (0.41) CYP19A1PTGESEGFRBRAFKDM4E
SCHEMBL11895162 0.88 CYP19A1 (0.41) CYP19A1PTGESEGFRBRAFKDM4E
SCHEMBL11894873 0.85 P4HTM (0.40) CYP19A1EGFRBRAFKDM4EALDH1A1
SCHEMBL11895208 0.83 ALDH1A1 (0.48) CYP19A1PTGESEGFRBRAFKDM4E
SCHEMBL11895065 0.83 PARP1 (0.36) CYP19A1PTGESKDM4EALDH1A1HSD17B10
SCHEMBL11894516 0.82 MAPT (0.44) CYP19A1PTGESKDM4EALDH1A1PDE10A
SCHEMBL11894918 0.81 PLA2G2A (0.42) EGFRBRAFHDAC1KDM4EALDH1A1
SCHEMBL11894666 0.81 MYC (0.43) CYP19A1PTGESKDM4EALDH1A1HSD17B10

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 CYP19A1 416/4885PTGES 4470/4885EGFR 3187/4885

“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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