SCHEMBL15314950

SCHEMBL15314950

CC[C@]1(c2cc3c(cc2C)OCO3)C(=O)N(C)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
GAA P10253 1/20 0.50
SCN9A Q15858 16/20 0.47
MAPT P10636 3/20 0.46
THRB P10828 1/20 0.46
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL15314951 0.93 TSHR (0.43) TSHRGAASCN9AMAPTTHRB
SCHEMBL15315021 0.83 SCN9A (0.43) TSHRGAASCN9AMAPTTHRB
SCHEMBL15314952 0.81 GAA (0.55) TSHRGAASCN9AMAPTTHRB
SCHEMBL15315012 0.80 SCN9A (0.49) GAASCN9AMAPTKDM4ELMNA
SCHEMBL15314963 0.80 SCN9A (0.49) GAASCN9AMAPTKDM4ELMNA
SCHEMBL15314945 0.79 ELANE (0.47) TSHRMAPTKDM4ELMNAMAPK1
SCHEMBL15314983 0.78 SCN9A (0.53) TSHRGAASCN9AMAPTTHRB
SCHEMBL15315004 0.77 ALDH1A1 (0.40) GAASCN9AMAPTPOLB
SCHEMBL15314972 0.76 SCN9A (0.65) GAASCN9ALMNA
SCHEMBL15314992 0.76 SCN9A (0.65) GAASCN9ALMNA

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
US-20170066777-A1 ASYMMETRIC SYNTHESES FOR SPIRO-OXINDOLE COMPOUNDS USEFUL AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2017-03-09 US disclosed
US-9487535-B2 Asymmetric syntheses for spiro-oxindole compounds useful as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2016-11-08 US disclosed
US-20130274483-A1 ASYMMETRIC SYNTHESES FOR SPIRO-OXINDOLE COMPOUNDS USEFUL AS THERAPEUTIC AGENTS PACIRA PHARMACEUTICALS, INC. 2013-10-17 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-20170066777-A1 ASYMMETRIC SYNTHESES FOR SPIRO-OXINDOLE COMPOUNDS USEFUL AS THERAPEUTIC AGENTS OPRK1, OPRL1, PKD2 TSHR 3442/4885GAA 4090/4885SCN9A 51/4885
US-20130274483-A1 ASYMMETRIC SYNTHESES FOR SPIRO-OXINDOLE COMPOUNDS USEFUL AS THERAPEUTIC AGENTS OPRK1, OPRL1, PKD2 TSHR 3442/4885GAA 4090/4885SCN9A 51/4885

“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.