SCHEMBL17386554

SCHEMBL17386554

CC(C)(C)OC(=O)N1CCCC(CO)(CO)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
USP2 O75604 1/20 0.42
NR1H2 P55055 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
CTSK P43235 1/20 0.39
EPHX1 P07099 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PIK3R1 P27986 3/20 0.38
PIK3CA P42336 3/20 0.38
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
ADAM17 P78536 1/20 0.37
PREP P48147 1/20 0.37

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
SCHEMBL5766669 0.91 HPGD (0.40) HPGDSMN1; SMN2USP2NR1H2NPC1
SCHEMBL18309958 0.90 USP2 (0.45) HPGDSMN1; SMN2USP2NR1H2CTSK
SCHEMBL31387757 0.86 HPGD (0.42) HPGDSMN1; SMN2USP2NR1H2MEN1
SCHEMBL2896952 0.86 HPGD (0.42) HPGDSMN1; SMN2USP2NR1H2MEN1
SCHEMBL31230945 0.86 HPGD (0.42) HPGDSMN1; SMN2USP2NR1H2NPC1
SCHEMBL14377716 0.84 HPGD (0.39) HPGDSMN1; SMN2USP2NR1H2MEN1
SCHEMBL22022990 0.83 NR1H2 (0.47) HPGDSMN1; SMN2USP2NR1H2MEN1
SCHEMBL25051625 0.83 HPGD (0.42) HPGDSMN1; SMN2USP2NR1H2MEN1
SCHEMBL30430792 0.83 HPGD (0.42) HPGDSMN1; SMN2USP2NR1H2MEN1
SCHEMBL31141092 0.82 HPGD (0.40) HPGDSMN1; SMN2USP2NR1H2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2963036-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF ASTELLAS PHARMA INC (JP) 2019-08-28 EP disclosed
EP-2963036-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF ASTELLAS PHARMA INC (JP) 2019-08-28 EP disclosed
US-9562044-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2017-02-07 US disclosed
US-9562044-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2017-02-07 US disclosed
US-9562044-B2 2-acylaminothiazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2017-02-07 US disclosed
US-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2016-01-07 US disclosed
US-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2016-01-07 US disclosed
US-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2016-01-07 US disclosed
EP-2963036-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF Astellas Pharma Inc. (JP) 2016-01-06 EP disclosed
EP-2963036-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF Astellas Pharma Inc. (JP) 2016-01-06 EP 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-20160002218-A1 2-ACYLAMINOTHIAZOLE DERIVATIVE OR SALT THEREOF CHRM3, CHRM2, CHRM5 HPGD 2726/4885SMN1; SMN2 1804/4885USP2 2287/4885

“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.