SCHEMBL2724083

SCHEMBL2724083

CC(C)C(C)c1cc(N)cc(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPMT P51580 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ DDO Q99489 1/20 0.40
▸ TDP1 Q9NUW8 2/20 0.35
▸ CA12 O43570 3/20 0.34
▸ CA1 P00915 3/20 0.34
▸ CA2 P00918 3/20 0.34
▸ CA7 P43166 3/20 0.34
▸ CA9 Q16790 3/20 0.34
▸ CA14 Q9ULX7 3/20 0.34
▸ ANPEP P15144 2/20 0.34
▸ ENPEP Q07075 1/20 0.34
▸ CA3 P07451 2/20 0.33
▸ CA4 P22748 2/20 0.33
▸ CA6 P23280 2/20 0.33
▸ CA5A P35218 2/20 0.33

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
SCHEMBL2727093 0.85 FABP3 (0.47) TPMTKDM4EMEN1KMT2AALDH1A1
SCHEMBL28302239 0.78 TPMT (0.42) TPMTKDM4EMEN1KMT2AALDH1A1
SCHEMBL11226539 0.77 KDM4E (0.42) TPMTKDM4EMEN1KMT2AALDH1A1
SCHEMBL223304 0.75 KDM4E (0.56) TPMTKDM4EMEN1KMT2AALDH1A1
SCHEMBL109155 0.75 KDM4E (0.56) TPMTKDM4EMEN1KMT2AALDH1A1
SCHEMBL2820215 0.75 KDM4E (0.56) TPMTKDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL4295557 0.73 KDM4E (0.54) TPMTKDM4EMEN1KMT2AALDH1A1
Water SCHEMBL2806532 0.73 KDM4E (0.54) TPMTKDM4EMEN1KMT2AALDH1A1
SCHEMBL2847323 0.73 KDM4E (0.54) TPMTKDM4EMEN1KMT2AALDH1A1
SCHEMBL1477467 0.73 KDM4E (0.54) TPMTKDM4EMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635279-A2 CHEMICAL COMPOUNDS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-11 — — EP disclosed
US-20130225524-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-29 — — US disclosed
WO-2012061557-A2 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-05-10 — — WO 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-20130225524-A1 Chemical Compounds LDHA, NQO2, LDHB TPMT 3016/4885KDM4E 1541/4885MEN1 1656/4885

“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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