SCHEMBL5884181

SCHEMBL5884181

CC(=O)c1cc(F)ccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
CES1 P23141 2/20 0.47
KEAP1 Q14145 1/20 0.42
KCNH2 Q12809 1/20 0.42
HPGD P15428 1/20 0.41
CLCN2 P51788 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
FADS1 O60427 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAOB P27338 2/20 0.38
MAOA P21397 1/20 0.38
ANO1 Q5XXA6 1/20 0.38
LMNA P02545 1/20 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
SCHEMBL30231714 0.83 HPGD (0.53) CES2CES1HPGDALDH1A1POLB
SCHEMBL473969 0.83 HPGD (0.53) CES2CES1HPGDALDH1A1POLB
SCHEMBL16957960 0.83 CES2 (0.40) CES2CES1KEAP1HPGDCLCN2
SCHEMBL8232600 0.82 CES2 (0.42) CES2CES1KEAP1HPGDCLCN2
SCHEMBL477556 0.81 CES2 (0.48) CES2CES1KEAP1HPGDCLCN2
SCHEMBL16961563 0.81 KEAP1 (0.39) CES2CES1KEAP1HPGDCLCN2
SCHEMBL786240 0.81 ALDH1A1 (0.63) CES2CES1KEAP1CLCN2ALDH1A1
SCHEMBL1785686 0.79 ALDH1A1 (0.50) CES2CES1KEAP1HPGDALDH1A1
SCHEMBL30954398 0.79 CES2 (0.47) CES2CES1KEAP1HPGDCLCN2
SCHEMBL7985019 0.79 SMN1; SMN2 (0.54) CES2CES1HPGDCLCN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024151930-A1 PI3K INHIBITORS AND METHODS OF MAKING AND USING THE SAME RELAY THERAPEUTICS, INC. (US) 2024-07-18 WO disclosed
CN-115260156-A Compounds as JAK2 inhibitors and uses thereof 华东理工大学 2022-11-01 CN disclosed
US-20210179598-A1 SELECTIVE JAK2 INHIBITOR AND APPLICATION THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-06-17 US disclosed
EP-3782993-A1 SELECTIVE JAK2 INHIBITOR AND APPLICATION THEREOF East China University of Science and Technology (CN) 2021-02-24 EP disclosed
WO-2019196937-A1 SELECTIVE JAK2 INHIBITOR AND APPLICATION THEREOF 华东理工大学 2019-10-17 WO disclosed
US-6995159-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2006-02-07 US disclosed
US-6894050-B2 5-HT receptor ligands and uses thereof PFIZER INC. (US) 2005-05-17 US disclosed
US-20050090503-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-04-28 US disclosed
US-20050054656-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-03-10 US disclosed
US-20050032809-A1 5-HT receptor ligands and uses thereof PFIZER INC 2005-02-10 US disclosed
US-6825198-B2 FOR THERAPY OF SEXUAL DISORDER PFIZER INC 2004-11-30 US disclosed
EP-1401820-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 EP disclosed
EP-1401819-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF Pfizer Products Inc. (US) 2004-03-31 EP disclosed
US-20030125334-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-07-03 US disclosed
US-20030105106-A1 5-HT receptor ligands and uses thereof CHIANG PHOEBE (US) 2003-06-05 US disclosed
WO-2003000663-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
WO-2003000666-A1 5-HT RECEPTOR LIGANDS AND USES THEREOF PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed
US-4997840-A Quinolone sulphonates having antihypertensive activity THE BOOTS COMPANY, PLC (GB) 1991-03-05 US disclosed
EP-0330340-A1 Therapeutic agents The Boots Company PLC (GB) 1989-08-30 EP disclosed
WO-1989007593-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1989-08-24 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 (6 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-20050032809-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A CES2 364/4885CES1 1549/4885KEAP1 4452/4885
US-20050090503-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A CES2 364/4885CES1 1549/4885KEAP1 4452/4885
US-20210179598-A1 SELECTIVE JAK2 INHIBITOR AND APPLICATION THEREOF JAK2, JAK1, JAK3 CES2 4726/4885CES1 3705/4885KEAP1 608/4885
US-20030105106-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A CES2 366/4885CES1 1255/4885KEAP1 4313/4885
US-20050054656-A1 5-HT receptor ligands and uses thereof HTR2A, HTR1A, HTR5A CES2 364/4885CES1 1549/4885KEAP1 4452/4885
US-20030125334-A1 5-HT receptor ligands and uses thereof HTR1A, HTR2A, HTR5A CES2 366/4885CES1 1255/4885KEAP1 4313/4885

“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.