SCHEMBL1644939

SCHEMBL1644939

CCOC(=O)C(c1cc(F)c(F)cc1F)[C@@H](C)N

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DPP4 P27487 4/20 0.33
PTGS1 P23219 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DPP9 Q86TI2 1/20 0.32
RORC P51449 1/20 0.32
TSHR P16473 1/20 0.32
PDE2A O00408 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL1644938 1.00 PTGS2 (0.34) PTGS2ALDH1A1HPGDALOX15NPSR1
SCHEMBL29619666 0.81 DPP4 (0.49) DPP4DPP9RORC
SCHEMBL1644983 0.78 SLC1A3 (0.36) PTGS2DPP4PTGS1TSHRPDE2A
SCHEMBL6904784 0.78 RORC (0.44) ALDH1A1HPGDNPSR1HSD17B10KDM4E
SCHEMBL1645870 0.78 SLC1A3 (0.36) PTGS2DPP4PTGS1TSHRPDE2A
Hydrochloric Acid SCHEMBL1645944 0.77 SLC1A3 (0.36) PTGS2DPP4PTGS1TSHRPDE2A
SCHEMBL5084280 0.77 PTGS1 (0.38) PTGS2PTGS1RORC
SCHEMBL5084277 0.77 PTGS1 (0.38) PTGS2PTGS1RORC
Hydrochloric Acid SCHEMBL1645942 0.77 SLC1A3 (0.36) PTGS2DPP4PTGS1TSHRPDE2A
SCHEMBL1644990 0.74 RORC (0.39) ALDH1A1HPGDNPSR1HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2308829-B1 A PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES JIANGSU HENGRUI MEDICINE CO (CN) 2017-06-14 EP disclosed
US-8580997-B2 Process for preparing R-beta-amino phenylbutyric acid derivatives JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2013-11-12 US disclosed
US-20110130587-A1 PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2011-06-02 US disclosed
EP-2308829-A1 A PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES Jiangsu Hengrui Medicine Co., Ltd. (CN) 2011-04-13 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-20110130587-A1 PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES ALAD, DAO, DDO PTGS2 4507/4885ALDH1A1 1465/4885HPGD 2506/4885

“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.