SCHEMBL1491452

SCHEMBL1491452

COC(=O)N(C1c2ccccc2-c2ccccc21)[C@H](CSC(C)(C)C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ KIF11 P52732 3/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ GPR3 P46089 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ CACNA1G O43497 1/20 0.31
▸ GAA P10253 1/20 0.31

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
SCHEMBL1405873 0.83 CYP1A2 (0.38) CYP1A2TSHRHPGDKMT2AGPR3
SCHEMBL30510259 0.83 CYP1A2 (0.38) CYP1A2TSHRHPGDKMT2AGPR3
SCHEMBL4599750 0.83 CYP1A2 (0.38) CYP1A2TSHRHPGDKMT2AGPR3
SCHEMBL1405820 0.83 CYP1A2 (0.38) CYP1A2TSHRHPGDKMT2AGPR3
SCHEMBL1120764 0.82 KEAP1 (0.35) CYP1A2TSHRKMT2AGPR3POLB
SCHEMBL6389450 0.82 KIF11 (0.39) KIF11
SCHEMBL8812896 0.82 CYP1A2 (0.38) CYP1A2TSHRKMT2AGPR3POLB
SCHEMBL418100 0.82 CYP1A2 (0.38) CYP1A2TSHRKMT2AGPR3POLB
SCHEMBL5497625 0.82 CYP1A2 (0.47) CYP1A2TSHRKMT2AGPR3POLB
SCHEMBL30510335 0.82 CYP1A2 (0.38) CYP1A2TSHRKMT2AGPR3POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133104-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2015-09-15 — — US disclosed
US-20140163042-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD. (GB) 2014-06-12 — — US disclosed
US-20130116318-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2013-05-09 — — US disclosed
EP-1879895-B1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-06-08 — — EP disclosed
US-7939666-B2 Enzyme inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-05-10 — — US disclosed
EP-2301939-A1 Enzyme inhibitors Chroma Therapeutics Limited (GB) 2011-03-30 — — EP disclosed
US-20090291978-A1 Enzyme Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2009-11-26 — — 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 (3 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-20130116318-A1 Enzyme Inhibitors HDAC1, HDAC11, HDAC7 CYP1A2 1309/4885TSHR 3751/4885KIF11 3351/4885
US-20140163042-A1 ENZYME INHIBITORS HAT1, NR2E1, HDAC3 CYP1A2 643/4885TSHR 894/4885KIF11 4779/4885
US-20090291978-A1 Enzyme Inhibitors HAT1, NR2E1, NR2C2 CYP1A2 775/4885TSHR 1357/4885KIF11 4724/4885

“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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