SCHEMBL321133

SCHEMBL321133

OCc1c(Cl)cncc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDXK O00764 1/20 0.40
PDE4D Q08499 3/20 0.35
ACP1 P24666 1/20 0.34
ICAM1 P05362 1/20 0.33
SELE P16581 1/20 0.33
VCAM1 P19320 1/20 0.33
PDE4A P27815 1/20 0.33
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
NOTUM Q6P988 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ADRB2 P07550 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31
PMP22 Q01453 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
BDKRB2 P30411 1/20 0.31

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
SCHEMBL27800513 0.84 PDXK (0.34) PDXKPDE4DACP1ICAM1SELE
SCHEMBL17185923 0.84 PDXK (0.34) PDXKPDE4DACP1P2RX7
SCHEMBL1564887 0.84 PDXK (0.34) PDXKPDE4DACP1ICAM1SELE
SCHEMBL747139 0.84 PDXK (0.34) PDXKPDE4DACP1
SCHEMBL13059148 0.84 KDM4E (0.34) PDXKPDE4DACP1PDE4APKM
SCHEMBL844835 0.80 PDXK (0.36) PDXKPDE4DICAM1SELEVCAM1
SCHEMBL13059193 0.79 PDE4D (0.33) PDE4DACP1ICAM1SELEVCAM1
SCHEMBL288955 0.79 PDE4D (0.33) PDE4DACP1ICAM1SELEVCAM1
SCHEMBL5999271 0.79 CYP11B1 (0.34) PDXKICAM1SELEVCAM1GAA
SCHEMBL1563060 0.76 PDE4D (0.36) PDXKPDE4DPDE4AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119751439-A ATF6 modulators and uses thereof 阿尔托斯实验室公司 2025-04-04 CN disclosed
CN-115087656-B ATF6 modulators and uses thereof 阿尔托斯实验室公司 2024-12-13 CN disclosed
CN-116490498-A Pyrimido cyclic compounds and application thereof in preparation of medicines for treating pains and spinal cord injuries 南京药石科技股份有限公司 2023-07-25 CN disclosed
US-20230028584-A1 ATF6 MODULATORS AND USES THEREOF ALTOS LABS, INC. 2023-01-26 US disclosed
US-20230028584-A1 ATF6 MODULATORS AND USES THEREOF ALTOS LABS, INC. 2023-01-26 US disclosed
WO-2022194261-A1 PYRIMIDINE-FUSED CYCLIC COMPOUND AND USE THEREOF IN PREPARATION OF DRUG FOR TREATING PAIN AND SPINAL CORD INJURY 南京药石科技股份有限公司 2022-09-22 WO disclosed
CN-115087656-A ATF6 modulators and uses thereof 普拉西斯生物技术有限责任公司 2022-09-20 CN disclosed
US-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators AbbVie Deutschland GmbH & Co. KG (DE) 2022-08-30 US disclosed
EP-4041728-A1 ATF6 MODULATORS AND USES THEREOF Praxis Biotech LLC (US) 2022-08-17 EP disclosed
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2021-05-06 US disclosed
US-5935978-A Compounds containing phenyl linked to aryl or heteroaryl by an aliphatic- or heteroatom-containing linking group RHONE-POULENC RORER LIMITED (GB) 1999-08-10 US disclosed
WO-1999035163-A1 PHENYLALANINE DERIVATIVES CELLTECH THERAPEUTICS LIMITED (GB) 1999-07-15 WO disclosed
US-5840724-A COMPOUNDS FOR TUMOR NECROSIS FACTOR OR ENZYME INHIBITORS OF PHOSPHODIESTERASES RHONE-POULENC RORER LIMITED (GB) 1998-11-24 US disclosed
EP-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
US-5698711-A INHIBITORS OF TUMOR NECROSIS FACTOR, CYCLIC ADENOSINE-3*,5*-MONOPHOSPHATE PHOSPHODIESTERASE AND EOSINOPHILS RHONE-POULENC RORER LIMITED (GB) 1997-12-16 US disclosed
US-5679696-A FOR INHIBITING TUMOR NECROSIS FACTOR; ENZYME INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1997-10-21 US disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed
EP-0652868-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1995-05-17 EP disclosed
WO-1994002465-A1 INHIBITORS OF c-AMP PHOSPHODIESTERASE AND TNF RHONE-POULENC RORER LIMITED (GB) 1994-02-03 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-11427598-B2 Spiro-cyclic amine derivatives as S1P modulators S1PR1, S1PR3, S1PR2 PDXK 1746/4885PDE4D 562/4885ACP1 2670/4885
US-20230028584-A1 ATF6 MODULATORS AND USES THEREOF ATF4, XBP1, ATF1 PDXK 2342/4885PDE4D 2606/4885ACP1 4447/4885
US-20210130364-A1 SPIRO-CYCLIC AMINE DERIVATIVES AS S1P MODULATORS S1PR1, S1PR3, S1PR2 PDXK 1746/4885PDE4D 562/4885ACP1 2670/4885

“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.