Sugi Predict

Sugi Predict / Compounds / SCHEMBL18205083

SCHEMBL18205083

SCHEMBL18205083

Cc1ccc(C(C)C(=O)O)cc1.[Zn]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 12/20 0.61
▸ PTGS1 P23219 8/20 0.57
▸ AKR1C3 P42330 8/20 0.57
▸ AKR1C2 P52895 7/20 0.57
▸ CYP2C9 P11712 4/20 0.57
▸ LMNA P02545 3/20 0.57
▸ CXCR1 P25024 2/20 0.57
▸ CXCR2 P25025 2/20 0.57
▸ SLC22A6 Q4U2R8 2/20 0.57
▸ TSHR P16473 2/20 0.57
▸ ALB P02768 1/20 0.57
▸ ESR1 P03372 1/20 0.57
▸ ALOX5 P09917 1/20 0.57
▸ RARB P10826 1/20 0.57
▸ ADRB3 P13945 1/20 0.57
▸ NFKB1 P19838 1/20 0.57
▸ HTR2A P28223 1/20 0.57
▸ NR1I3 Q14994 1/20 0.57
▸ CXCL8 P10145 1/20 0.57
▸ BLM P54132 1/20 0.57

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
SCHEMBL349312 0.98 PTGS2 (0.63) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL597882 0.98 PTGS2 (0.63) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL3093415 0.98 PTGS2 (0.63) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
Water SCHEMBL30850045 0.95 PTGS2 (0.61) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
Hydrochloric Acid SCHEMBL5846561 0.95 PTGS2 (0.61) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL22228509 0.91 PTGS2 (0.68) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
Formic Acid SCHEMBL30236894 0.90 PTGS2 (0.55) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
SCHEMBL59197 0.88 PTGS2 (0.74) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
Water SCHEMBL30850051 0.86 PTGS2 (0.52) PTGS2PTGS1AKR1C3AKR1C2CYP2C9
Trifluoroacetic Acid SCHEMBL30237172 0.86 AKR1C3 (0.57) PTGS2PTGS1AKR1C3AKR1C2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103342636-A Preparation method for 2-(4-brooethylphenyl) propionic acid NANTONG TAITONG CHEMICAL TECHNOLOGY CO LTD 2013-10-09 — — CN claimed
CN-107473960-A Pipelineization prepares the method and its device of 2 (4 2-bromomethylphenyl) propionic acid 浙江工业大学 2017-12-15 — — CN disclosed
US-20160326085-A1 2-ARYL-ZINC-PROPIONATE CATALYST AND PREPARATION METHOD AND USE THEREOF FUDAN UNIVERSITY (CN) 2016-11-10 — — US disclosed
CN-102716768-B 2-aryl-zinc-propionate catalyst and preparation method and application thereof UNIV FUDAN 2014-04-02 — — CN disclosed
CN-103342636-A Preparation method for 2-(4-brooethylphenyl) propionic acid NANTONG TAITONG CHEMICAL TECHNOLOGY CO LTD 2013-10-09 — — CN disclosed
CN-102716768-A 2-aryl-zinc-propionate catalyst and preparation method and application thereof UNIV FUDAN 2012-10-10 — — CN 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-20160326085-A1 2-ARYL-ZINC-PROPIONATE CATALYST AND PREPARATION METHOD AND USE THEREOF CYP2F1, CYP4F2, CYP2A6 PTGS2 30/4885PTGS1 50/4885AKR1C3 203/4885

“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.