SCHEMBL2679496

SCHEMBL2679496

O=C(OCc1ccccc1)[C@H]1NCCC1O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
GLA P06280 1/20 0.45
FABP7 O15540 1/20 0.44
FABP5 Q01469 1/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
BACE1 P56817 1/20 0.42
HTR2C P28335 1/20 0.42
GAA P10253 1/20 0.42
CYP2C19 P33261 1/20 0.41
FKBP1A P62942 1/20 0.41

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
SCHEMBL8773328 1.00 TSHR (0.48) TSHRGLAFABP7FABP5ALDH1A1
SCHEMBL6165123 1.00 TSHR (0.48) TSHRGLAFABP7FABP5ALDH1A1
SCHEMBL19234323 1.00 TSHR (0.48) TSHRGLAFABP7FABP5ALDH1A1
Hydrochloric Acid SCHEMBL1784261 0.99 TSHR (0.50) TSHRGLAFABP7FABP5ALDH1A1
SCHEMBL7265457 0.85 CA1 (0.48) TSHRALDH1A1KMT2AFKBP1A
SCHEMBL19233846 0.84 GLA (0.47) TSHRGLAFABP7FABP5ALDH1A1
SCHEMBL7436597 0.84 TSHR (0.47) TSHRGLAFABP7FABP5ALDH1A1
SCHEMBL29109592 0.84 TSHR (0.53) TSHRGLAFABP7FABP5ALDH1A1
SCHEMBL19233842 0.84 TSHR (0.47) TSHRGLAFABP7FABP5ALDH1A1
SCHEMBL11464612 0.82 ALDH1A1 (0.50) TSHRGLAFABP7FABP5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS, LLC (US) 2012-11-15 US disclosed
US-8173840-B2 Compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-08 US disclosed
WO-2007089745-A2 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R & D HOLDINGS, LLC (US) 2007-08-09 WO disclosed
US-20060241017-A1 Novel compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC 2006-10-26 US disclosed
EP-1472257-A1 INHIBITORS OF ALPHA L BETA 2 INTEGRIN MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003066636-A1 INHIBITORS OF ALPHA L BETA 2 INTEGRIN MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2003-08-14 WO disclosed
EP-0544620-A1 Macrocyclic lactams as inhibitors of atrial natriuretic factors (ANF)-degrading neutral endopeptidase (NEP) CIBA-GEIGY AG (CH) 1993-06-02 EP 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-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX IL4I1, SLC7A1, GOT1 TSHR 4639/4885GLA 3696/4885FABP7 260/4885
US-20060241017-A1 Novel compounds with high therapeutic index IL4I1, SLC7A1, GOT1 TSHR 4639/4885GLA 3696/4885FABP7 260/4885

“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.