SCHEMBL346024

SCHEMBL346024

C[C@@H](N[S+]([O-])C(C)(C)C)c1ccc(F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.41
APLNR P35414 1/20 0.38
JAK2 O60674 11/20 0.37
JAK3 P52333 9/20 0.37
NR1I2 O75469 1/20 0.36
NTRK1 P04629 9/20 0.33
CDK2 P24941 3/20 0.33
LCK P06239 2/20 0.33
RET P07949 2/20 0.33
FLT3 P36888 2/20 0.33
AURKB Q96GD4 2/20 0.33
MUSK O15146 1/20 0.33
FGFR3 P22607 1/20 0.33
CCNE1 P24864 1/20 0.33
PTK2B Q14289 1/20 0.33
ALK Q9UM73 2/20 0.32
AURKA O14965 2/20 0.32
NTRK3 Q16288 2/20 0.32
NTRK2 Q16620 2/20 0.32
FYN P06241 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
SCHEMBL3238364 1.00 HDAC6 (0.41) HDAC6APLNRJAK2JAK3NR1I2
SCHEMBL22158937 0.89 HDAC6 (0.38) HDAC6NR1I2
SCHEMBL22158938 0.89 HDAC6 (0.38) HDAC6NR1I2
SCHEMBL22158936 0.89 HDAC6 (0.38) HDAC6NR1I2
SCHEMBL29685834 0.82 CACNA1I (0.33) HDAC6KCNH2
SCHEMBL30615171 0.82 CACNA1I (0.33) HDAC6KCNH2
SCHEMBL29686184 0.82 CACNA1I (0.33) HDAC6KCNH2
SCHEMBL31137287 0.82 PDE2A (0.41) HDAC6
SCHEMBL29106414 0.82 CACNA1I (0.33) HDAC6KCNH2
SCHEMBL29106408 0.82 CACNA1I (0.33) HDAC6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2860178-B1 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME (US) 2021-01-13 EP disclosed
EP-2215049-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2019-06-12 EP disclosed
EP-2411001-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2018-01-17 EP disclosed
EP-2410858-B1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2016-09-07 EP disclosed
US-9238647-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2016-01-19 US disclosed
EP-2215048-B1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2015-10-28 EP disclosed
EP-2860178-A2 P2X3 receptor antagonists for treatment of pain Merck Sharp & Dohme Corp. (US) 2015-04-15 EP disclosed
EP-2358371-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2015-02-11 EP disclosed
US-8946231-B2 P2X3, receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2015-02-03 US disclosed
EP-2410857-B1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME (US) 2014-01-29 EP disclosed
US-8461185-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2013-06-11 US disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain MERCK SHARP & DOHME LLC 2012-03-15 US disclosed
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2012-01-26 US disclosed
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2012-01-19 US disclosed
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-08-25 US disclosed
EP-2358371-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2011-08-24 EP disclosed
US-20110003822-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2011-01-06 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
WO-2010051188-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-05-06 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-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 HDAC6 2816/4885APLNR 175/4885JAK2 3718/4885
US-20120064181-A1 P2X3 Receptor Antagonists for Treatment of Pain P2RX3, P2RX1, P2RX2 HDAC6 2816/4885APLNR 175/4885JAK2 3718/4885
US-20120021074-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 HDAC6 3148/4885APLNR 192/4885JAK2 3550/4885
US-20110206783-A1 P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 HDAC6 3148/4885APLNR 192/4885JAK2 3550/4885
US-20120015052-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 HDAC6 2816/4885APLNR 175/4885JAK2 3718/4885
US-20110003822-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 HDAC6 2816/4885APLNR 175/4885JAK2 3718/4885

“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.