SCHEMBL16427606

SCHEMBL16427606

CC(OS(C)(=O)=O)C1CC(=O)N([C@H](C)c2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.53
▸ MAPK1 P28482 1/20 0.44
▸ GRM5 P41594 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CYP2D6 P10635 1/20 0.34
▸ HSD11B1 P28845 2/20 0.34
▸ MAPT P10636 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ OPRK1 P41145 1/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ MCOLN3 Q8TDD5 1/20 0.32

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
SCHEMBL16427605 1.00 KMT2A (0.53) KMT2AMAPK1GRM5ALDH1A1HPGD
SCHEMBL16426901 0.86 SMN1; SMN2 (0.40) KMT2AALDH1A1HSD11B1MAPTHSD17B2
SCHEMBL16426900 0.86 SMN1; SMN2 (0.40) KMT2AALDH1A1HSD11B1MAPTHSD17B2
SCHEMBL19499084 0.86 SMN1; SMN2 (0.40) KMT2AALDH1A1HSD11B1MAPTHSD17B2
SCHEMBL12414687 0.81 KMT2A (0.64) KMT2AMAPK1GRM5ALDH1A1HPGD
SCHEMBL14067407 0.80 KMT2A (0.59) KMT2AMAPK1GRM5ALDH1A1HPGD
SCHEMBL8327722 0.78 KMT2A (0.61) KMT2AMAPK1GRM5ALDH1A1HPGD
SCHEMBL524061 0.78 KMT2A (0.61) KMT2AMAPK1GRM5ALDH1A1HPGD
SCHEMBL4716526 0.78 KMT2A (0.65) KMT2AMAPK1GRM5ALDH1A1HPGD
SCHEMBL8331851 0.78 KMT2A (0.61) KMT2AMAPK1GRM5ALDH1A1HPGD

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 5 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
US-20150038488-A1 SYK INHIBITORS Kronos Bio, Inc. 2015-02-05 — — 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 (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 KMT2A 850/4885MAPK1 690/4885GRM5 2866/4885
US-20160368918-A1 SYK INHIBITORS SYK, BTK, LYN KMT2A 930/4885MAPK1 669/4885GRM5 2932/4885
US-10005774-B2 Syk inhibitors SYK, BTK, LYN KMT2A 930/4885MAPK1 669/4885GRM5 2932/4885

“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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