SCHEMBL4498797

SCHEMBL4498797

CS(=O)(=O)CCc1nc(-c2ccccc2F)oc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.46
POLB P06746 4/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPK1 P28482 3/20 0.42
TP53 P04637 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
C1R P00736 1/20 0.40

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
SCHEMBL4507919 0.86 KMO (0.38) TSHRPOLBGAAMAPTLMNA
SCHEMBL4485984 0.85 SMN1; SMN2 (0.46) TSHRPOLBGAASMN1; SMN2MAPT
SCHEMBL4489532 0.82 SMN1; SMN2 (0.46) TSHRPOLBGAASMN1; SMN2MAPT
SCHEMBL27738187 0.79 NPC1 (0.41) TSHRPOLBGAASMN1; SMN2MAPT
SCHEMBL4764049 0.74 LMNA (0.42) TSHRPOLBSMN1; SMN2MAPTLMNA
SCHEMBL4510686 0.74 KMT2A (0.52) TSHRPOLBSMN1; SMN2MAPTLMNA
SCHEMBL4792234 0.73
SCHEMBL4493273 0.72 TSHR (0.51) TSHRPOLBSMN1; SMN2MAPTLMNA
SCHEMBL4488806 0.71 MAOA (0.50) POLBSMN1; SMN2MAPTHTTMEN1
SCHEMBL2790958 0.71 TSHR (0.47) TSHRPOLBMAPTLMNATHRB

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
EP-1917262-B1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2011-12-14 EP disclosed
US-7491821-B2 2-(4-fluorophenyl)-4-propyl-oxazole-5-carboxylic acid {2-[4-(6-aminopyridin-2-yl)-piperazin-1-yl]-1-methyl-ethyl}amide; purinergic receptor antagonists, analgesics; urogenital, gastointestinal and respiratory system disorders ROCHE PALO ALTO LLC (US) 2009-02-17 US disclosed
CN-101282972-A Piperidine and piperazine derivatives as P2X3 antagonists HOFFMANN LA ROCHE (CH) 2008-10-08 CN disclosed
EP-1917262-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2008-05-07 EP disclosed
WO-2007020194-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS P2X3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-02-22 WO disclosed
US-20070037974-A1 Inhibitors of P2X3 ROCHE PALO ALTO LLC 2007-02-15 US 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-20070037974-A1 Inhibitors of P2X3 P2RX3, P2RX4, P2RX5 TSHR 799/4885POLB 2936/4885GAA 4732/4885

“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.