SCHEMBL163722

SCHEMBL163722

CCCCOC(=O)c1nc([O])co1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.45
ESR1 P03372 7/20 0.44
LMNA P02545 4/20 0.44
MAPK1 P28482 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
NR1H2 P55055 1/20 0.44
RNASEL Q05823 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 1/20 0.43
PDE4D Q08499 1/20 0.43
TP53 P04637 1/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.39

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
SCHEMBL161794 0.83 CYP1A2 (0.44) TSHRL3MBTL1ESR1LMNAMAPK1
SCHEMBL162927 0.76 ALDH1A1 (0.45) TSHRTDP1LMNASMN1; SMN2TP53
SCHEMBL158357 0.75 TSHR (0.46) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL163237 0.74 NPSR1 (0.41) TSHRTDP1ALDH1A1HSD17B10HPGD
SCHEMBL20267535 0.72 TSHR (0.46) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL15204449 0.70 MAPT (0.34) CYP2C19SMN1; SMN2CYP2C9TP53ALDH1A1
SCHEMBL162057 0.70 CA12 (0.38) L3MBTL1LMNACYP1A2CYP2C19CYP2C9
SCHEMBL2478193 0.70 TSHR (0.55) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL165879 0.70 ESR1 (0.47) TSHRL3MBTL1TDP1ESR1LMNA
SCHEMBL28583624 0.70 POLB (0.46) TSHRL3MBTL1TDP1POLBESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 TSHR 4862/4885L3MBTL1 1654/4885TDP1 56/4885

“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.