SCHEMBL771677

SCHEMBL771677

CCOC(=O)CC(=O)C1CCCO1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 11/20 0.46
KDM4E B2RXH2 3/20 0.46
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
POLB P06746 3/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL4409029 1.00 HPGD (0.49) HPGDNPC1RAB9ATP53CYP1A2
SCHEMBL1016103 0.84 HPGD (0.48) HPGDNPC1RAB9ATP53CYP1A2
SCHEMBL1015504 0.84 HPGD (0.48) HPGDNPC1RAB9ATP53CYP1A2
SCHEMBL1015503 0.84 HPGD (0.48) HPGDNPC1RAB9ATP53CYP1A2
SCHEMBL20625206 0.79 HPGD (0.44) HPGDNPC1RAB9ATP53CYP1A2
SCHEMBL8627456 0.79 HPGD (0.50) HPGDNPC1RAB9ATP53CYP1A2
SCHEMBL1813924 0.79 HPGD (0.50) HPGDNPC1RAB9ATP53CYP1A2
SCHEMBL8626242 0.79 HPGD (0.50) HPGDNPC1RAB9ATP53CYP1A2
SCHEMBL21611336 0.79 ALDH1A1 (0.42) HPGDNPC1RAB9ATP53CYP1A2
SCHEMBL1902747 0.77 MEN1 (0.44) HPGDNPC1RAB9ATP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339915-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2023-10-26 US disclosed
US-20230339915-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED 2023-10-26 US disclosed
WO-2023164175-A2 PROTACS OF MALT1 TEGID THERAPEUTICS, INC. (US) 2023-08-31 WO disclosed
CN-115916749-A Substituted 5-hydroxyindole compounds as alpha-1 antitrypsin modulators 弗特克斯药品有限公司 2023-04-04 CN disclosed
EP-4126817-A1 SUBSTITUTED 5-HYDROXYINDOLE COMPOUNDS AS MODULATORS OF ALPHA-1 ANTITRYPSIN Vertex Pharmaceuticals Incorporated (US) 2023-02-08 EP disclosed
WO-2021203007-A1 SUBSTITUTED 5-HYDROXYINDOLE COMPOUNDS AS MODULATORS OF ALPHA-1 ANTITRYPSIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 WO disclosed
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2020-07-07 US disclosed
EP-2250165-B1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2018-07-25 EP disclosed
US-20180170942-A1 POLYCYCLIC DERIVATIVES TARGETING RAL GTPASES AND THEIR THERAPEUTICAL APPLICATIONS NANTBIO INC (US) 2018-06-21 US disclosed
WO-2016205460-A1 POLYCYCLIC DERIVATIVES TARGETING RAL GTPASES AND THEIR THERAPEUTICAL APPLICATIONS NANTBIOSCIENCE, INC. (US) 2016-12-22 WO disclosed
EP-2440554-B1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2016-10-05 EP disclosed
US-8802663-B2 Pyrazole oxadiazole derivatives as S1P1 agonists MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-8202856-B2 Triazole oxadiazoles derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
EP-2440554-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS Merck Serono S.A. (CH) 2012-04-18 EP disclosed
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2012-03-22 US disclosed
WO-2010142628-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO S.A. (CH) 2010-12-16 WO disclosed
US-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO SA (CH) 2010-12-02 US disclosed
EP-2250165-A1 TRIAZOLE OXADIAZOLES DERIVATIVES Merck Serono S.A. (CH) 2010-11-17 EP disclosed
WO-2009080663-A1 TRIAZOLE OXADIAZOLES DERIVATIVES MERCK SERONO S.A. (CH) 2009-07-02 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 (5 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-20100305092-A1 TRIAZOLE OXADIAZOLES DERIVATIVES OXA1L, RO60, PDCD11 HPGD 1995/4885NPC1 4730/4885RAB9A 2114/4885
US-20180170942-A1 POLYCYCLIC DERIVATIVES TARGETING RAL GTPASES AND THEIR THERAPEUTICAL APPLICATIONS KRAS, HRAS, RALA HPGD 3010/4885NPC1 1365/4885RAB9A 35/4885
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS S1PR1, S1PR3, S1PR2 HPGD 2073/4885NPC1 734/4885RAB9A 3147/4885
US-20230339915-A1 MODULATORS OF ALPHA-1 ANTITRYPSIN SERPINA2, SERPINA3, SERPINB1 HPGD 306/4885NPC1 369/4885RAB9A 3520/4885
US-10703746-B2 Mutant IDH1 inhibitors useful for treating cancer IDH1, IDH3B, IDH3A HPGD 374/4885NPC1 3863/4885RAB9A 931/4885

“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.