SCHEMBL12892592

SCHEMBL12892592

Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(NC(=O)OCc4ccccc4)cc3F)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 2/20 0.48
▸ PLA2G7 Q13093 1/20 0.47
▸ SLC22A12 Q96S37 3/20 0.46
▸ KDM4E B2RXH2 6/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SCN9A Q15858 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ADRB2 P07550 1/20 0.42
▸ ADRB1 P08588 1/20 0.42
▸ ADRB3 P13945 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ TNF P01375 1/20 0.41

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
SCHEMBL12892584 0.88 AR (0.54) ARKDM4ELMNAMEN1MAPT
SCHEMBL14949666 0.87 SLC22A12 (0.53) PLA2G7SLC22A12KDM4ELMNAMEN1
SCHEMBL12892599 0.85 CYP2C9 (0.46) ARSLC22A12KDM4ELMNAMEN1
SCHEMBL1259639 0.80 SLC22A12 (0.47) ARSLC22A12KDM4ELMNAMEN1
SCHEMBL12892591 0.79 TP53 (0.50) MAPTALDH1A1SMN1; SMN2POLBPTGDR2
SCHEMBL12892590 0.78 MAPT (0.44) LMNAMEN1MAPTKMT2AALDH1A1
SCHEMBL27648407 0.75 MET (0.50) POLB
SCHEMBL4314968 0.74 GFER (0.58) SLC22A12KDM4ELMNAMEN1MAPT
SCHEMBL1260264 0.73 KDM4E (0.46) ARSLC22A12KDM4ELMNAMEN1
SCHEMBL14949665 0.73 SLC22A12 (0.51) SLC22A12KDM4ELMNAMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 — — US disclosed
US-8445509-B2 Fused heterocyclic derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-21 — — US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 — — US disclosed
US-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-24 — — 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-20110046169-A1 FUSED HETEROCYCLIC DERIVATIVES AND USE THEREOF ABL1, MAP4K2, MAP3K20 AR 1190/4885PLA2G7 1793/4885SLC22A12 4393/4885

“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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