SCHEMBL7574295

SCHEMBL7574295

CC(C)S(=O)(=O)c1ccccc1OC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.45
ALPL P05186 1/20 0.43
CNR2 P34972 2/20 0.42
SLC40A1 Q9NP59 1/20 0.42
HTR6 P50406 1/20 0.41
KDM2B Q8NHM5 1/20 0.41
BRD4 O60885 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
KCNK3 O14649 2/20 0.38
KCNK9 Q9NPC2 2/20 0.38
ELANE P08246 1/20 0.37
MRGPRX1 Q96LB2 1/20 0.37
EGFR P00533 1/20 0.36
MET P08581 1/20 0.36
ROS1 P08922 1/20 0.36
ALK Q9UM73 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL2646108 0.80 ALPL (0.46) SLC22A12ALPLCNR2SLC40A1HTR6
SCHEMBL8409554 0.80 SLC22A12 (0.41) SLC22A12ALPLCNR2SLC40A1HTR6
Ethane SCHEMBL27378046 0.79 SLC22A12 (0.41) SLC22A12ALPLCNR2SLC40A1HTR6
SCHEMBL13588814 0.78 HTR6 (0.56) SLC22A12HTR6ALKALDH1A1L3MBTL1
SCHEMBL6972429 0.78 ALPL (0.47) SLC22A12ALPLCNR2SLC40A1HTR6
SCHEMBL3528957 0.78 ELANE (0.60) SLC22A12ALPLCNR2SLC40A1HTR6
SCHEMBL16186184 0.78 ALPL (0.49) ALPL
SCHEMBL21216562 0.77 HTR6 (0.48) SLC22A12ALPLSLC40A1HTR6KDM2B
SCHEMBL122293 0.77 SLC22A12 (0.48) SLC22A12ALPLCNR2SLC40A1HTR6
SCHEMBL645001 0.77 ALPL (0.46) SLC22A12ALPLSLC40A1HTR6KDM2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3743430-B1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-08-02 EP disclosed
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-11-05 US disclosed
US-8895551-B2 Acrylamide compounds and the use thereof SHIONOGI & CO., LTD. (JP) 2014-11-25 US disclosed
US-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
WO-2002083629-A1 BISSULFONAMIDE DERIVATIVES AS INHIBITORS OF DEHYDROQUINATE SYNTHETASES AND TYPE II DEHYDROQUINASES ARROW THERAPEUTICS LIMITED (GB) 2002-10-24 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 (4 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-20120022069-A1 ACRYLAMIDE COMPOUNDS AND THE USE THEREOF TRPA1, TRPV1, CACNA1B SLC22A12 1076/4885ALPL 4701/4885CNR2 195/4885
US-20200347071-A1 AMINOPYRROLOTRIAZINES AS KINASE INHIBITORS RIPK1, RIPK2, RIPK4 SLC22A12 4396/4885ALPL 3390/4885CNR2 1209/4885
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 SLC22A12 1349/4885ALPL 3692/4885CNR2 31/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 SLC22A12 4618/4885ALPL 4332/4885CNR2 691/4885

“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.