Sugi Predict

Sugi Predict / Compounds / SCHEMBL1326795

SCHEMBL1326795

SCHEMBL1326795

Cc1cc(C(=O)O)n(C(C)(C)C)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ GAA P10253 3/20 0.50
▸ TDP1 Q9NUW8 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ GRN P28799 6/20 0.44
▸ SORT1 Q99523 6/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HCAR3 P49019 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ AURKA O14965 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ RET P07949 1/20 0.36
▸ LTK P29376 1/20 0.36

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
SCHEMBL13807471 0.85 ATM (0.56) ATMALDH1A1L3MBTL1GAATDP1
SCHEMBL552850 0.83 ATM (0.55) ATMALDH1A1L3MBTL1GAATDP1
SCHEMBL14013805 0.83 ALDH1A1 (0.55) ATMALDH1A1L3MBTL1GAATDP1
SCHEMBL15428586 0.83 ATM (0.55) ATMALDH1A1L3MBTL1GAATDP1
SCHEMBL13797533 0.80 ALDH1A1 (0.52) ATMALDH1A1L3MBTL1GAATDP1
SCHEMBL12293398 0.80 ALDH1A1 (0.52) ATMALDH1A1L3MBTL1GAATDP1
SCHEMBL7987940 0.80 GAA (0.57) ATMALDH1A1L3MBTL1GAATDP1
SCHEMBL12084321 0.79 ALDH1A1 (0.51) ATMALDH1A1L3MBTL1GAATDP1
SCHEMBL13439634 0.79 ALDH1A1 (0.62) ATMALDH1A1L3MBTL1GAATDP1
SCHEMBL950174 0.77 GRN (0.49) ATMALDH1A1L3MBTL1POLBGRN

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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550319-B2 Wellbore servicing compositions and methods of making and using same HALLIBURTON ENERGY SERVICES, INC. (US) 2020-02-04 — — US claimed
WO-2014172051-A1 WELLBORE SERVICING COMPOSITIONS AND METHODS OF MAKING AND USING SAME HALLIBURTON ENERGY SERVICES, INC. (US) 2014-10-23 — — WO claimed
US-20140303047-A1 Wellbore Servicing Compositions and Methods of Making and Using Same HALLIBURTON ENERGY SERVICES, INC. (US) 2014-10-09 — — US claimed
US-8183239-B2 Substituted piperazines and piperidines as modulators of the neuropeptide Y2 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-05-22 — — US claimed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 — — US claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 — — EP claimed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 — — US claimed
EP-1948629-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-30 — — EP claimed
US-7378448-B2 Diphenylether amide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-05-27 — — US claimed
EP-1902025-A1 KINASE INHIBITORS Allergan, Inc. (US) 2008-03-26 — — EP claimed
WO-2007053436-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 — — WO claimed
US-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 — — US claimed
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-03-22 — — US claimed
US-20070032478-A1 Kinase Inhibitors ALLERGAN, INC. 2007-02-08 — — US claimed
WO-2007008895-A1 KINASE INHIBITORS ALLERGAN, INC. (US) 2007-01-18 — — WO claimed
EP-1735268-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-27 — — EP claimed
US-20060223868-A1 Heterocyclic amides exhibiting and inhibitory activity at the vanilloid receptor 1(vr1) ASTRAZENECA AB (SE) 2006-10-05 — — US claimed
EP-1622884-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). AstraZeneca AB (SE) 2006-02-08 — — EP claimed
WO-2005092836-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-06 — — WO claimed
WO-2004096784-A1 NEW HETEROCYCLIC AMIDES EXHIBITING AN INHIBITORY ACTIVITY AT THE VANILLOID RECEPTOR 1 (VR1). ASTRAZENECA AB (SE) 2004-11-11 — — WO claimed

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-20060223868-A1 Heterocyclic amides exhibiting and inhibitory activity at the vanilloid receptor 1(vr1) AVPR1A, AVPR2, TRPV1 ATM 4334/4885ALDH1A1 726/4885L3MBTL1 4083/4885
US-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY5R, NPY4R ATM 4021/4885ALDH1A1 4060/4885L3MBTL1 1619/4885
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R ATM 3332/4885ALDH1A1 1333/4885L3MBTL1 4461/4885
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 ATM 4823/4885ALDH1A1 2047/4885L3MBTL1 463/4885
US-20070032478-A1 Kinase Inhibitors ABL1, LCK, ERBB2 ATM 420/4885ALDH1A1 2379/4885L3MBTL1 2164/4885

“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.