SCHEMBL15314985

SCHEMBL15314985

Cc1cc2c(cc1C1(O)C(=O)N(C)c3ccccc31)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SCN9A Q15858 7/20 0.45
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.43
THRB P10828 1/20 0.43
HTT P42858 2/20 0.42
RECQL P46063 1/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HCRTR1 O43613 1/20 0.41
RAD52 P43351 1/20 0.40

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
SCHEMBL15314952 0.93 GAA (0.55) TSHRGAARAB9ASMN1; SMN2SCN9A
SCHEMBL15314988 0.88 TSHR (0.47) TSHRGAARAB9ASMN1; SMN2SCN9A
SCHEMBL15315022 0.82 ALDH1A1 (0.41) GAASMN1; SMN2SCN9AMAPTALDH1A1
SCHEMBL15314951 0.81 TSHR (0.43) TSHRGAASCN9AMAPTALDH1A1
SCHEMBL15314987 0.80 TSHR (0.55) TSHRGAARAB9ASMN1; SMN2SCN9A
SCHEMBL15314955 0.78 RAB9A (0.53) TSHRGAARAB9ASMN1; SMN2MAPT
SCHEMBL15314997 0.75 SCN9A (0.45) TSHRGAASMN1; SMN2SCN9AMAPT
SCHEMBL2355930 0.73 SCN9A (0.59) TSHRGAASCN9A
SCHEMBL15314973 0.73 SCN9A (0.59) TSHRGAASCN9A
SCHEMBL15314950 0.73 TSHR (0.50) TSHRGAASCN9AMAPTTHRB

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 4090/4885RAB9A 1231/4885
US-20130274483-A1 ASYMMETRIC SYNTHESES FOR SPIRO-OXINDOLE COMPOUNDS USEFUL AS THERAPEUTIC AGENTS OPRK1, OPRL1, PKD2 TSHR 3442/4885GAA 4090/4885RAB9A 1231/4885

“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.