SCHEMBL17535601

SCHEMBL17535601

CCOC(=O)c1ccc(Br)c2c1CC(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
EZH2 Q15910 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
ALDH1A1 P00352 9/20 0.37
KDM4E B2RXH2 7/20 0.37
HPGD P15428 5/20 0.37
NPSR1 Q6W5P4 3/20 0.37
POLB P06746 2/20 0.37
GPR55 Q9Y2T6 1/20 0.37
MAPT P10636 3/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 3/20 0.36
GLA P06280 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 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
SCHEMBL21954934 0.86 EZH2 (0.39) TSHREZH2CA12CA1CA2
SCHEMBL22032130 0.84 TSHR (0.41) TSHRCA12CA1CA2CA7
SCHEMBL6677172 0.76 TSHR (0.50) TSHRCA12CA1CA2CA7
SCHEMBL12565876 0.73 TSHR (0.46) TSHRCA12CA1CA2CA7
SCHEMBL12565678 0.73 TSHR (0.46) TSHRCA12CA1CA2CA7
SCHEMBL31321864 0.73 TSHR (0.46) TSHRCA12CA1CA2CA7
SCHEMBL31039516 0.73 TSHR (0.46) TSHRCA12CA1CA2CA7
SCHEMBL2434076 0.73 LMNA (0.52) TSHRALDH1A1KDM4ENPSR1POLB
SCHEMBL22032240 0.72 CA12 (0.41) TSHRCA12CA1CA2CA7
SCHEMBL10320605 0.72 ALDH1A1 (0.43) TSHRCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970331-B1 SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS TAKEDA PHARMACEUTICALS CO (JP) 2017-05-17 EP disclosed
US-9605000-B2 Spiro azetidine isoxazole derivatives and their use as SSTR antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-28 US disclosed
US-20160060273-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-03-03 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-20160060273-A1 HETEROCYCLIC COMPOUND SSTR5, SSTR1, SSTR2 TSHR 51/4885EZH2 1593/4885CA12 1329/4885

“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.