SCHEMBL18017495

SCHEMBL18017495

CC1(C)OC(c2ccc(Oc3cccc(F)c3)cc2)OC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.43
▸ SCN3A Q9NY46 1/20 0.43
▸ MMP14 P50281 3/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ SCN9A Q15858 1/20 0.39
▸ PGR P06401 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ SLC5A2 P31639 1/20 0.37
▸ SLC6A2 P23975 5/20 0.37
▸ SLC6A4 P31645 5/20 0.37
▸ SLC6A3 Q01959 5/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ MMP13 P45452 2/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ MRGPRX1 Q96LB2 1/20 0.35

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
SCHEMBL6290496 0.77 ALDH1A1 (0.54) KCNH2SCN3AMMP14MMP2MMP3
SCHEMBL6289347 0.77 ALDH1A1 (0.54) KCNH2SCN3AMMP14MMP2MMP3
SCHEMBL6290467 0.75 SMN1; SMN2 (0.58) KCNH2SCN3AMMP14MMP2MMP3
SCHEMBL6289422 0.75 SMN1; SMN2 (0.58) KCNH2SCN3AMMP14MMP2MMP3
SCHEMBL6290729 0.75 SMN1; SMN2 (0.58) KCNH2SCN3AMMP14MMP2MMP3
SCHEMBL6290322 0.75 SMN1; SMN2 (0.58) KCNH2SCN3AMMP14MMP2MMP3
SCHEMBL6290588 0.75 SMN1; SMN2 (0.58) KCNH2SCN3AMMP14MMP2MMP3
SCHEMBL6293128 0.75 SMN1; SMN2 (0.58) KCNH2SCN3AMMP14MMP2MMP3
SCHEMBL13860162 0.73 LIPG (0.51) MMP14MMP2MMP3MMP9SCN9A
SCHEMBL29719698 0.73 LIPG (0.51) MMP14MMP2MMP3MMP9SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951056-B2 Substituted nicotinamide inhibitors of BTK and their preparation and use in the treatment of cancer, inflammation and autoimmune disease BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2018-04-24 — — US disclosed
US-9951056-B2 Substituted nicotinamide inhibitors of BTK and their preparation and use in the treatment of cancer, inflammation and autoimmune disease BEIJING INNOCARE PHARMA TECH CO., LTD. (CN) 2018-04-24 — — US disclosed
US-20160237075-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE GUANGZHOU INNOCARE PHARMA TECH CO., LTD. (CN) 2016-08-18 — — US disclosed
US-20160237075-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE GUANGZHOU INNOCARE PHARMA TECH CO., LTD. (CN) 2016-08-18 — — 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-20160237075-A1 SUBSTITUTED NICOTINIMIDE INHIBITORS OF BTK AND THEIR PREPARATION AND USE IN THE TREATMENT OF CANCER, INFLAMMATION AND AUTOIMMUNE DISEASE BTK, SYK, LYN KCNH2 2657/4885SCN3A 1351/4885MMP14 4507/4885

“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.

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