SCHEMBL7043547

SCHEMBL7043547

CS(=O)(=O)c1ncc(F)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 2/20 0.41
PTGS2 P35354 9/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TLR9 Q9NR96 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MITF O75030 1/20 0.35
STAT3 P40763 1/20 0.35
STAT1 P42224 1/20 0.35
RAB9A P51151 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL765855 0.77 APLNR (0.41) APLNRPTGS2LMNASMN1; SMN2ALDH1A1
SCHEMBL3210214 0.75 CA12 (0.40) LMNASMN1; SMN2ALDH1A1NPSR1TLR9
SCHEMBL66565 0.75 KDM4E (0.35) PTGS2LMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL1940334 0.75 TP53 (0.41) PTGS2LMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL28832576 0.75 LMNA (0.35) LMNASMN1; SMN2ALDH1A1NPSR1TLR9
SCHEMBL1557133 0.75 LMNA (0.41) PTGS2LMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL32665217 0.72 LMNA (0.34) LMNASMN1; SMN2ALDH1A1NPSR1TLR9
SCHEMBL12459178 0.71 ALDH1A1 (0.34) LMNASMN1; SMN2ALDH1A1NPSR1TLR9
SCHEMBL4059831 0.71 SMN1; SMN2 (0.47) PTGS2LMNASMN1; SMN2ALDH1A1NPSR1
SCHEMBL22854274 0.71 BPTF (0.35) LMNASMN1; SMN2ALDH1A1NPSR1TLR9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110804061-B Pyrazole and pyrazine formamide compound containing cyclopropyl segment and application thereof 中国医学科学院医药生物技术研究所 2021-01-05 CN disclosed
CN-110804061-A Pyrazole and pyrazine formamide compound containing cyclopropyl segment and application thereof 中国医学科学院医药生物技术研究所 2020-02-18 CN disclosed
US-20030236258-A1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-12-25 US disclosed
US-6531492-B1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PFIZER INC. 2003-03-11 US disclosed
EP-1233959-A1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS Pfizer Products Inc. (US) 2002-08-28 EP disclosed
WO-2001040216-A1 HETEROCYCLO-ALKYLSULFONYL PYRAZOLE DERIVATIVES AS ANTI-INFLAMMATORY/ANALGESIC AGENTS PFIZER PRODUCTS INC. (US) 2001-06-07 WO disclosed
US-6117884-A 4-substituted quinoline derivatives having fungicidal activity DAEUBLE JOHN (US) 2000-09-12 US disclosed
CN-1228084-A 4-substituted quinoline derivatives having fungicidal activity DOW AGROSCIENCES LLC (US) 1999-09-08 CN disclosed
EP-0925282-A1 4-SUBSTITUTED QUINOLINE DERIVATIVES HAVING FUNGICIDAL ACTIVITY DOWELANCO (US) 1999-06-30 EP disclosed
WO-1998005645-A9 4-SUBSTITUTED QUINOLINE DERIVATIVES HAVING FUNGICIDAL ACTIVITY 1998-08-20 WO disclosed
WO-1998005645-A1 4-SUBSTITUTED QUINOLINE DERIVATIVES HAVING FUNGICIDAL ACTIVITY DOW AGROSCIENCES LLC (US) 1998-02-12 WO disclosed
EP-0033195-B1 PYRIMIDINE-2-SULPHIDES AND THEIR S-OXIDES FOR USE IN MEDICINE, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, PROCESSES FOR THEIR PREPARATION AND SUCH COMPOUNDS WHEN NOVEL PER SE NYEGAARD & CO. A/S (NO) 1985-12-04 EP disclosed
US-4423047-A INHIBITING ABNORMAL CELL PROLIFERATION NYEGAARD & CO. A/S (NO) 1983-12-27 US disclosed
EP-0033195-A1 Pyrimidine-2-sulphides and their S-oxides for use in medicine, pharmaceutical compositions containing them, processes for their preparation and such compounds when novel per se NYEGAARD & CO. A/S (NO) 1981-08-05 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-20030236258-A1 Heterocyclo-alkylsulfonyl pyrazole derivatives as anti-inflammatory/analgesic agents PTGS1, SULT2A1, PTGES3 APLNR 2815/4885PTGS2 4/4885LMNA 4448/4885

“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.