SCHEMBL13125281

SCHEMBL13125281

CC(C)(C)[Si](C)(C)OCCn1c(=O)oc2cc(C(=O)O)ccc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.48
▸ MET P08581 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ APEX1 P27695 1/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ HTR2A P28223 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ KMO O15229 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ HCAR3 P49019 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PIK3CB P42338 1/20 0.38

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
SCHEMBL13125233 0.89 MET (0.56) SIGMAR1METALDH1A1SLC6A2HTR2A
SCHEMBL14804158 0.83 MIF (0.51) METALDH1A1MEN1KMT2ARAB9A
SCHEMBL14804197 0.79 POLB (0.57) ALDH1A1HPGDKMT2ARAB9ATP53
SCHEMBL16362378 0.74 KMO (0.41) ALDH1A1KMOMEN1KMT2ARAB9A
SCHEMBL16145606 0.74 DUT (0.42) SIGMAR1METALDH1A1HPGDMEN1
SCHEMBL474056 0.72 ALDH1A1 (0.73) SIGMAR1ALDH1A1HPGDMEN1KMT2A
SCHEMBL16145821 0.71 MAPT (0.40) METALDH1A1HPGDMEN1KMT2A
SCHEMBL16145819 0.71 MAPT (0.40) METALDH1A1HPGDMEN1KMT2A
SCHEMBL17263178 0.70 ACSS2 (0.67) —
SCHEMBL14745668 0.68 HCAR3 (0.40) ALDH1A1HPGDRAB9AHCAR3

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-2314586-B1 2-Acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC (JP) 2016-09-14 — — EP disclosed
US-8765764-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2014-07-01 — — US disclosed
US-20130079351-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA, INC. (JP) 2013-03-28 — — US disclosed
US-8338429-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-12-25 — — US disclosed
US-20100222329-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-02 — — US disclosed
US-20100222361-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-02 — — US disclosed
US-7638536-B2 N-[4-(4-chlorothiophen-2-yl)-5-(4-cyclohexylpiperazin-1-yl)thiazol-2-yl]-3-fluoro-4-hydroxybenzamide; nonpeptide c-mpl ligand; low immunogenicity; proliferate human c-mpl-Ba/F3 cells; increase platelets by promoting the formation of megakaryocytic colonies; orally ASTELLAS PHARMA INC. (JP) 2009-12-29 — — 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-20130079351-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF MPL, JAK2, ABL1 SIGMAR1 4133/4885MET 362/4885ALDH1A1 2060/4885
US-20100222329-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF MPL, JAK2, ABL1 SIGMAR1 4133/4885MET 362/4885ALDH1A1 2060/4885
US-20100222361-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF MPL, JAK2, ABL1 SIGMAR1 4133/4885MET 362/4885ALDH1A1 2060/4885

“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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