Sugi Predict

Sugi Predict / Compounds / SCHEMBL1721722

SCHEMBL1721722

SCHEMBL1721722

CC1(C)OB(c2ccc(Cl)c(C(=O)O)c2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ TP53 P04637 1/20 0.47
▸ LMNA P02545 1/20 0.44
▸ LIPG Q9Y5X9 5/20 0.44
▸ LPL P06858 4/20 0.44
▸ TDP1 Q9NUW8 3/20 0.42
▸ CTSB P07858 1/20 0.42
▸ P4HB P07237 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ F11 P03951 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ AAK1 Q2M2I8 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL1131421 0.88 TSHR (0.47) ALDH1A1TP53LIPGLPLP4HB
SCHEMBL855958 0.86 F11 (0.43) ALDH1A1LMNALIPGLPLP4HB
SCHEMBL3461872 0.85 MEN1 (0.47) ALDH1A1TP53LMNALIPGLPL
SCHEMBL20448949 0.84 SMN1; SMN2 (0.45) ALDH1A1LIPGLPLP4HBF2
SCHEMBL32678807 0.83 LIPG (0.45) LIPGLPLP4HBF2F11
SCHEMBL32678806 0.83 LIPG (0.45) LIPGLPLP4HBF2F11
SCHEMBL2720778 0.83 LIPG (0.45) LIPGLPLP4HBF2F11
SCHEMBL18241170 0.83 CSNK2A1 (0.47) ALDH1A1LIPGLPLTDP1CTSB
SCHEMBL458415 0.83 LIPG (0.45) LIPGLPLP4HBF2F11
SCHEMBL32678804 0.83 LIPG (0.45) LIPGLPLP4HBF2F11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108713016-B Pesticidally active pyrazole derivatives 先正达参股股份有限公司 2021-10-08 — — CN disclosed
EP-3696174-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2020-08-19 — — EP disclosed
CN-110770223-A Pesticidally active pyrazole derivatives 先正达参股股份有限公司 2020-02-07 — — CN disclosed
EP-2953942-B1 HALOGEN-SUBSTITUTED PYRAZOLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-10-25 — — EP disclosed
EP-3208272-A1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-08-23 — — EP disclosed
EP-2774925-B1 Heterocyclic modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2016-12-28 — — EP disclosed
US-9487489-B2 Halogen-substituted pyrazole derivatives as pest-control agents BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-11-08 — — US disclosed
EP-2953942-A1 HALOGEN-SUBSTITUTED PYRAZOL DERIVATIVES AS PEST-CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2015-12-16 — — EP disclosed
US-20150353500-A1 HALOGEN-SUBSTITUTED PYRAZOL DERIVATIVES AS PEST-CONTROL AGENTS VETOQUINOL SA (FR) 2015-12-10 — — US disclosed
EP-2774925-A1 Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters Vertex Pharmaceuticals Incorporated (US) 2014-09-10 — — EP disclosed
EP-1945632-B1 HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2013-09-18 — — EP disclosed
EP-2404919-B1 Heterocyclic compound useful as a modulator of ATP-binding cassette transporters. VERTEX PHARMA (US) 2013-08-21 — — EP disclosed
EP-2404919-A1 Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters. Vertex Pharmaceuticals Incorporated (US) 2012-01-11 — — EP disclosed
EP-2395002-A1 Pharmaceutical composition containing a heterocyclic modulator of ATP-binding cassette transporters. Vertex Pharmaceuticals Incorporated (US) 2011-12-14 — — EP disclosed
US-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ASTRAZENECA AB (SE) 2008-06-26 — — US disclosed
US-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor ASTRAZENECA AB (SE) 2008-06-19 — — US disclosed
EP-1844003-A1 NOVEL BIAROMATIC COMPOUNDS, INHIBITORS OF THE P2X7-RECEPTOR AstraZeneca AB (SE) 2007-10-17 — — EP disclosed
EP-1786786-A1 ADAMANTYL DERIVATES AS P2X7 RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2007-05-23 — — EP disclosed
WO-2006080884-A1 NOVEL BIAROMATIC COMPOUNDS, INHIBITORS OF THE P2X7-RECEPTOR ASTRAZENECA AB (SE) 2006-08-03 — — WO disclosed
WO-2006025783-A1 ADAMANTYL DERIVATES AS P2X7 RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2006-03-09 — — 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 (3 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-20150353500-A1 HALOGEN-SUBSTITUTED PYRAZOL DERIVATIVES AS PEST-CONTROL AGENTS PYM1, PRDX4, PRDX1 ALDH1A1 1200/4885TP53 2909/4885LMNA 2111/4885
US-20080146612-A1 Novel Biaromatic Compounds, Inhibitors of the P2X7-Receptor P2RX2, P2RX1, ADORA1 ALDH1A1 719/4885TP53 2543/4885LMNA 3293/4885
US-20080153850-A1 Adamantyl Derivates as P2x7 Receptor Antagonists ADORA1, P2RX1, P2RY1 ALDH1A1 744/4885TP53 1922/4885LMNA 1180/4885

“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.