SCHEMBL16426901

SCHEMBL16426901

COc1ccc([C@@H](C)N2CC(C(C)OS(C)(=O)=O)CC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ HSD11B1 P28845 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ CHRM2 P08172 5/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ MMP2 P08253 3/20 0.37
▸ MMP1 P03956 2/20 0.37
▸ MMP3 P08254 2/20 0.37
▸ MMP7 P09237 2/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ MMP8 P22894 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL16426900 1.00 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AHSD11B1POLBCHRM2
SCHEMBL19499084 1.00 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AHSD11B1POLBCHRM2
SCHEMBL16427605 0.86 KMT2A (0.53) KMT2AHSD11B1CHRM2CHRM1ALDH1A1
SCHEMBL16427606 0.86 KMT2A (0.53) KMT2AHSD11B1CHRM2CHRM1ALDH1A1
SCHEMBL18603267 0.85 CHRM2 (0.38) SMN1; SMN2HSD11B1CHRM2CHRM1MMP2
SCHEMBL20202072 0.85 CHRM2 (0.38) SMN1; SMN2HSD11B1CHRM2CHRM1MMP2
SCHEMBL20981967 0.85 CHRM2 (0.38) SMN1; SMN2HSD11B1CHRM2CHRM1MMP2
SCHEMBL17102246 0.85 CHRM2 (0.38) SMN1; SMN2HSD11B1CHRM2CHRM1MMP2
SCHEMBL17121095 0.83 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AHSD11B1POLBCHRM2
SCHEMBL19947558 0.81 SMN1; SMN2 (0.46) SMN1; SMN2KMT2AHSD11B1POLBMMP2

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
US-10005774-B2 Syk inhibitors GILEAD SCIENCES, INC. (US) 2018-06-26 — — US disclosed
EP-3027601-B1 SYK INHIBITORS GILEAD SCIENCES INC (US) 2017-10-25 — — EP disclosed
US-20160368918-A1 SYK INHIBITORS Kronos Bio, Inc. 2016-12-22 — — US disclosed
US-9376441-B2 Substituted pyrrolidines as SYK inhibitors GILEAD SCIENCES, INC. (US) 2016-06-28 — — US disclosed
EP-3027601-A1 SYK INHIBITORS Gilead Sciences, Inc. (US) 2016-06-08 — — EP disclosed
US-20150038488-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-02-05 — — US disclosed
WO-2015017610-A1 SYK INHIBITORS GILEAD SCIENCES, INC. (US) 2015-02-05 — — 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 (3 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-20150038488-A1 SYK INHIBITORS SYK, BTK, LYN SMN1; SMN2 3200/4885KMT2A 850/4885HSD11B1 4383/4885
US-20160368918-A1 SYK INHIBITORS SYK, BTK, LYN SMN1; SMN2 3271/4885KMT2A 930/4885HSD11B1 4392/4885
US-10005774-B2 Syk inhibitors SYK, BTK, LYN SMN1; SMN2 3271/4885KMT2A 930/4885HSD11B1 4392/4885

“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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