SCHEMBL112764

SCHEMBL112764

CC(C(=O)O)c1ccc(N)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 0.59
AKR1C2 P52895 10/20 0.59
PTGS2 P35354 4/20 0.59
PTGS1 P23219 3/20 0.59
CYP2C19 P33261 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP2C9 P11712 2/20 0.59
PSEN1 P49768 2/20 0.59
PSEN2 P49810 2/20 0.59
APH1B Q8WW43 2/20 0.59
NCSTN Q92542 2/20 0.59
APH1A Q96BI3 2/20 0.59
PSENEN Q9NZ42 2/20 0.59
FABP2 P12104 1/20 0.59
TSHR P16473 1/20 0.59
AKR1C4 P17516 1/20 0.59
ADRA2B P18089 1/20 0.59
CHRM3 P20309 1/20 0.59
HTR2C P28335 1/20 0.59

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
SCHEMBL13172090 0.89 AKR1C3 (0.47) AKR1C3AKR1C2PTGS2PTGS1CYP2C19
SCHEMBL732665 0.86 AKR1C3 (0.55) AKR1C3AKR1C2PTGS2PTGS1CYP2C19
SCHEMBL1533399 0.83 AKR1C3 (0.67) AKR1C3AKR1C2PTGS2PTGS1CYP2C19
SCHEMBL1002973 0.83 AKR1C3 (0.50) AKR1C3AKR1C2PTGS2PTGS1CYP2C19
SCHEMBL3052655 0.81 HDAC1 (0.44) AKR1C3AKR1C2PTGS2PTGS1CYP2C19
SCHEMBL24875457 0.81 MT-CO2 (0.47) AKR1C3AKR1C2PTGS2PTGS1CYP2C19
SCHEMBL30192791 0.81 MT-CO2 (0.47) AKR1C3AKR1C2PTGS2PTGS1CYP2C19
SCHEMBL8476208 0.81 MT-CO2 (0.47) AKR1C3AKR1C2PTGS2PTGS1CYP2C19
SCHEMBL4129677 0.80 AKR1C3 (0.47) AKR1C3AKR1C2PTGS2PTGS1CYP2C19
SCHEMBL11248505 0.80 AKR1C3 (0.61) AKR1C3AKR1C2PTGS2PTGS1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112225657-B Preparation method of flurbiprofen 北京泰德制药股份有限公司 2023-07-04 CN claimed
CN-112225657-A Preparation method of flurbiprofen 北京泰德制药股份有限公司 2021-01-15 CN claimed
EP-0077662-B1 PREPARATION OF NITROARYLACETIC ACID ESTERS AND DERIVATIVES THEREOF ETHYL CORPORATION (US) 1985-10-02 EP claimed
CN-117957212-A IL-17A modulators based on phenylacetamide and uses thereof 戴斯阿尔法公司 2024-04-30 CN disclosed
CN-112225657-B Preparation method of flurbiprofen 北京泰德制药股份有限公司 2023-07-04 CN disclosed
CN-112225657-A Preparation method of flurbiprofen 北京泰德制药股份有限公司 2021-01-15 CN disclosed
EP-2776398-B1 SUBSTITUTED PYRAZOLYL-BASED UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS MEDIFRON DBT INC (KR) 2020-09-02 EP disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 US disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 US disclosed
US-9624209-B2 Substituted phenylureas and phenylamides as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2017-04-18 US disclosed
US-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands MEDIFRON DBT INC. (KR) 2015-04-09 US disclosed
EP-0123629-B1 PREPARATION OF BIARYL COMPOUNDS ETHYL CORPORATION (US) 1988-08-17 EP disclosed
EP-0100120-B1 IMPROVEMENT IN THE PROCESS FOR PREPARING BIARYL COMPOUNDS VIA COUPLING OF AN ARYLAMINE WITH AN ARENE Nobel Chemicals AB (SE) 1988-02-03 EP disclosed
US-4721790-A Nucleophilic substitution process for fluoronitroaralkyloxazoline ETHYL CORPORATION (US) 1988-01-26 US disclosed
EP-0135249-B1 STYRENE DERIVATIVES TAISHO PHARMACEUTICAL CO. LTD (JP) 1986-11-12 EP disclosed
US-4557871-A Novel styrene derivatives of the general formula TAISHO PHARMACEUTICAL CO., LTD. (JP) 1985-12-10 US disclosed
US-4542233-A Process for preparing biaryl compounds via coupling of an arylamine with an arene BIASCHIM S.P.A. (IT) 1985-09-17 US disclosed
US-4540795-A Fluoronitroaralkyloxazolines, derivatives thereof, and nucleophilic substitution processes for preparing them ETHYL CORPORATION (US) 1985-09-10 US disclosed
EP-0135249-A1 Styrene derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1985-03-27 EP disclosed
EP-0100120-A1 Improvement in the process for preparing biaryl compounds via coupling of an arylamine with an arene Nobel Chemicals AB (SE) 1984-02-08 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 (1 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-20150099728-A1 Substituted Phenylureas and Phenylamides as Vanilloid Receptor Ligands TRPV1, TRPV5, TRPV6 AKR1C3 3650/4885AKR1C2 3570/4885PTGS2 1336/4885

“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.