SCHEMBL12713398

SCHEMBL12713398

Cc1ccc(C)c(CSc2nc3ccsc3c(=O)n2CCC(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 8/20 0.59
▸ MAPT P10636 4/20 0.59
▸ ALDH1A1 P00352 7/20 0.58
▸ RXFP1 Q9HBX9 4/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ ATM Q13315 1/20 0.55
▸ CYP2C19 P33261 1/20 0.51
▸ HPGD P15428 4/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ NSD2 O96028 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ RECQL P46063 3/20 0.49
▸ TP53 P04637 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HSP90AA1 P07900 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46

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
SCHEMBL12713395 0.94 LMNA (0.69) LMNAMAPTALDH1A1RXFP1KDM4E
SCHEMBL12713391 0.86 LMNA (0.64) LMNAMAPTALDH1A1RXFP1KDM4E
SCHEMBL12713425 0.86 LMNA (0.78) LMNAMAPTALDH1A1RXFP1KDM4E
SCHEMBL18883830 0.84 LMNA (0.50) LMNAMAPTALDH1A1RXFP1KDM4E
SCHEMBL12713397 0.84 LMNA (0.63) LMNAMAPTALDH1A1RXFP1KDM4E
SCHEMBL12713388 0.83 LMNA (0.63) LMNAMAPTALDH1A1RXFP1L3MBTL1
SCHEMBL12713401 0.83 LMNA (0.57) LMNAMAPTALDH1A1RXFP1KDM4E
SCHEMBL12713389 0.82 LMNA (0.55) LMNAMAPTALDH1A1RXFP1KDM4E
SCHEMBL12713460 0.80 LMNA (0.53) LMNAMAPTALDH1A1RXFP1KDM4E
SCHEMBL12713469 0.79 LMNA (0.56) LMNAMAPTALDH1A1RXFP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657031-B2 Ant-ligands molecules and biological applications UNIVERSITE DE VERSAILLES-SAINT-QUENTIN-EN-YVELINES (FR) 2017-05-23 — — US disclosed
US-9657031-B2 Ant-ligands molecules and biological applications UNIVERSITE DE VERSAILLES-SAINT-QUENTIN-EN-YVELINES (FR) 2017-05-23 — — US disclosed
US-20140350033-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS MITOLOGICS (FR) 2014-11-27 — — US disclosed
US-20140350033-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS MITOLOGICS (FR) 2014-11-27 — — US disclosed
US-8809346-B2 ANT-ligands molecules and biological applications UNIVERSITE DE VERSAILLES-SAINT-QUENTIN-EN-YVELINES (FR) 2014-08-19 — — US disclosed
US-8809346-B2 ANT-ligands molecules and biological applications UNIVERSITE DE VERSAILLES-SAINT-QUENTIN-EN-YVELINES (FR) 2014-08-19 — — US disclosed
US-20110086865-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS MITOLOGICS (FR) 2011-04-14 — — US disclosed
US-20110086865-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS MITOLOGICS (FR) 2011-04-14 — — 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 (2 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-20140350033-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS CXCR3, ACKR3, CCR3 LMNA 2370/4885MAPT 4797/4885ALDH1A1 2899/4885
US-20110086865-A1 ANT-LIGANDS MOLECULES AND BIOLOGICAL APPLICATIONS CXCR3, ACKR3, CCR3 LMNA 2515/4885MAPT 4805/4885ALDH1A1 2352/4885

“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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