SCHEMBL6274367

SCHEMBL6274367

Cc1ccccc1OCCOS(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
TSHR P16473 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 7/20 0.46
LMNA P02545 4/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 6/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 2/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
DRD2 P14416 1/20 0.44

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
SCHEMBL9451287 0.84 CA1 (0.47) TDP1L3MBTL1TSHRNPC1RAB9A
SCHEMBL1592876 0.82 TDP1 (0.60) TDP1L3MBTL1TSHRNPC1RAB9A
SCHEMBL2345631 0.82 L3MBTL1 (0.61) TDP1L3MBTL1RAB9AHPGDALDH1A1
SCHEMBL9270489 0.82 L3MBTL1 (0.43) TDP1L3MBTL1TSHRHPGDALDH1A1
SCHEMBL6275145 0.82 LMNA (0.53) TDP1L3MBTL1ALDH1A1LMNAGAA
SCHEMBL9685579 0.81 L3MBTL1 (0.64) L3MBTL1TSHRHPGDALDH1A1LMNA
SCHEMBL6272240 0.81 L3MBTL1 (0.53) TDP1L3MBTL1NPC1RAB9AHPGD
SCHEMBL21595773 0.81 L3MBTL1 (0.54) TDP1L3MBTL1TSHRNPC1RAB9A
SCHEMBL3947125 0.81 GAA (0.63) TSHRHPGDALDH1A1LMNAGAA
SCHEMBL9262266 0.81 CYP1A2 (0.51) TDP1L3MBTL1TSHRNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists BIOVITRUM AB (SE) 2005-12-29 US disclosed
WO-2005048916-A2 TETRAHYDROSPIRO-BETA-CARBOLINE-1,3 '-PYRROLIDINE DERIVATIVES AND THEIR USE IN GHSR-RELATED DISORDERS BIOVITRUM AB (SE) 2005-06-02 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-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists GHSR, GHRHR, PRLHR TDP1 1754/4885L3MBTL1 511/4885TSHR 11/4885

“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.