SCHEMBL2842833

SCHEMBL2842833

CCC(=O)c1ccc(OC)cc1F

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 11/20 0.58
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL29859365 0.85 CPS1 (0.56) CPS1NPC1RAB9AKMT2AMAPT
SCHEMBL15632457 0.85 CPS1 (0.56) CPS1NPC1RAB9AKMT2AMAPT
SCHEMBL12694464 0.85 CPS1 (0.56) CPS1NPC1RAB9AKMT2AMAPT
SCHEMBL15562754 0.85 CPS1 (0.56) CPS1NPC1RAB9AKMT2AMAPT
SCHEMBL2100809 0.85 CPS1 (0.56) CPS1NPC1RAB9AKMT2AMAPT
SCHEMBL11224265 0.84 CPS1 (0.52) CPS1NPC1RAB9AKMT2AMAPT
SCHEMBL8589731 0.83 ALDH1A1 (0.51) CPS1KMT2AALDH1A1
SCHEMBL1347033 0.82 SMN1; SMN2 (0.68) CPS1NPC1RAB9AKMT2AMAPT
SCHEMBL26670669 0.82 NPC1 (0.68) CPS1NPC1RAB9AKMT2AMAPT
SCHEMBL28175829 0.82 PDE2A (0.43) CPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3205650-B1 EGFR INHIBITOR, AND PREPARATION AND APPLICATION THEREOF SHANGHAI HANSOH BIOMEDICAL CO LTD (CN) 2021-08-04 EP disclosed
CN-106432229-A Compounds for treating or preventing hyperuricemia or gout 江苏新元素医药科技有限公司 2017-02-22 CN disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. 2010-06-24 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
US-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-05-27 US disclosed
EP-2168959-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 EP disclosed
EP-2168960-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2010-03-31 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-20100130738-A1 PYRAZOLONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE3B, PDE2A CPS1 3155/4885NPC1 4360/4885RAB9A 554/4885
US-20100160335-A1 PYRIDAZINONE DERIVATIVE AND PDE INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT PDE3A, PDE5A, PDE2A CPS1 3262/4885NPC1 4486/4885RAB9A 1874/4885

“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.