SCHEMBL17634261

SCHEMBL17634261

CC(C)(C)OC(=O)C(Br)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.37
TRPV4 Q9HBA0 1/20 0.37
NR1I2 O75469 1/20 0.36
CYP2C9 P11712 1/20 0.36
GPR139 Q6DWJ6 1/20 0.35
SCN9A Q15858 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL17634288 0.78 GSK3B (0.45)
SCHEMBL30277283 0.76 CYP2C9 (0.48) NR1I2CYP2C9GPR139KMT2A
SCHEMBL19962270 0.76 CYP2C9 (0.48) NR1I2CYP2C9GPR139KMT2A
SCHEMBL27395438 0.74 APP (0.41) SCN9ALMNAKMT2A
SCHEMBL2036998 0.74 MLYCD (0.39) TRPV4NR1I2CYP2C9SCN9A
SCHEMBL20580888 0.74 CYP2C9 (0.42) P2RX7NR1I2CYP2C9GPR139SCN9A
SCHEMBL29401838 0.74 CYP2C9 (0.42) P2RX7NR1I2CYP2C9GPR139SCN9A
SCHEMBL12322204 0.73 P2RX7 (0.43) P2RX7
SCHEMBL1741864 0.73 GPR139 (0.40) P2RX7NR1I2CYP2C9GPR139SCN9A
SCHEMBL9462640 0.72 RAB9A (0.43) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197900-B1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME (US) 2020-02-12 EP disclosed
US-9969752-B2 Inhibitors of HIF prolyl hydroxylase MERCK SHARP & DOHME CORP. (US) 2018-05-15 US disclosed
US-20170233412-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2017-08-17 US disclosed
EP-3197900-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE Merck Sharp & Dohme Corp. (US) 2017-08-02 EP disclosed
WO-2016049099-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 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 (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-20170233412-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE HIF1AN, HIF1A, EGLN2 P2RX7 3552/4885TRPV4 4634/4885NR1I2 233/4885

“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.