SCHEMBL2185078

SCHEMBL2185078

Cc1ccc2c(O)cc(C(=O)O)cc2c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 5/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ CA12 O43570 3/20 0.42
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ CA7 P43166 3/20 0.42
▸ CA9 Q16790 3/20 0.42
▸ CA14 Q9ULX7 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ CA4 P22748 2/20 0.42
▸ CA6 P23280 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 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
▸ 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
SCHEMBL24895085 0.76 CYP19A1 (0.48) TPMTKDM4ECA12CA1CA2
SCHEMBL22289736 0.75 PTPN1 (0.49) KDM4EMAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL25981011 0.74 CA12 (0.52) TPMTKDM4ECA12CA1CA2
SCHEMBL28071758 0.73 CA12 (0.67) TPMTKDM4ECA12CA1CA2
SCHEMBL289536 0.71 CA12 (0.64) TPMTKDM4ECA12CA1CA2
SCHEMBL29555158 0.70 KDM4E (0.64) KDM4ECA12CA1CA2CA7
SCHEMBL71388 0.70 KDM4E (0.64) KDM4ECA12CA1CA2CA7
SCHEMBL850504 0.69 TPMT (0.54) TPMTKDM4ECA12CA1CA2
SCHEMBL3389826 0.69 CDC25B (0.53) KDM4ECA12CA1CA2CA7
SCHEMBL2186294 0.69 SLC6A2 (0.54) TPMTKDM4ECA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343279-B1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME KISSEI PHARMACEUTICAL (JP) 2018-02-28 — — EP disclosed
CN-102186824-B Fused-ring derivative and medical application of same KISSEI PHARMACEUTICAL 2014-03-12 — — CN disclosed
US-8263622-B2 Fused-ring derivative and medical application of same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 — — US disclosed
CN-102186824-A Fused-ring derivative and medical application of same KISSEI PHARMACEUTICAL 2011-09-14 — — CN disclosed
US-20110207935-A1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-25 — — US disclosed
EP-2343279-A1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME Kissei Pharmaceutical Co., Ltd. (JP) 2011-07-13 — — EP 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-20110207935-A1 FUSED-RING DERIVATIVE AND MEDICAL APPLICATION OF SAME XDH, OAT, PON1 TPMT 133/4885KDM4E 3834/4885CA12 2021/4885

“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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