SCHEMBL20504196

SCHEMBL20504196

CCC(C#N)c1ccc(C(=O)OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
HPGD P15428 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
STAT3 P40763 1/20 0.43
TSHR P16473 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
ALDH1A1 P00352 1/20 0.42
RAPGEF3 O95398 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL28932021 0.83 MAPT (0.47) MAPTKMT2AMEN1TSHRALDH1A1
SCHEMBL3640935 0.82 LOXL2 (0.47) MAPTLOXL2KMT2AMEN1TSHR
SCHEMBL25525563 0.81 KMT2A (0.55) MAPTCA1CA2TDP1HPGD
SCHEMBL8695606 0.81 KMT2A (0.55) MAPTCA1CA2TDP1HPGD
SCHEMBL14551389 0.81 KMT2A (0.41) MAPTCA1CA2TDP1CA12
SCHEMBL12326878 0.81 RAPGEF3 (0.41) MAPTCA1CA2TDP1CA12
SCHEMBL23199299 0.80 MAPT (0.49) MAPTCA1CA2TDP1CA12
SCHEMBL31386185 0.78 CA1 (0.50) MAPTCA1CA2TDP1CA12
SCHEMBL8734246 0.78 CA1 (0.50) MAPTCA1CA2TDP1CA12
SCHEMBL13508620 0.78 HDAC8 (0.62) MAPTCA1CA2TDP1CA12

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
CN-108463458-B Modulators of ROR-gamma 生命医药有限责任公司 2022-02-01 CN disclosed
WO-2022008383-A1 ISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-01-13 WO disclosed
WO-2022008383-A1 ISOQUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF DISEASES GALAPAGOS NV (BE) 2022-01-13 WO disclosed
US-11008340-B2 Modulators of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2021-05-18 US disclosed
US-11008340-B2 Modulators of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2021-05-18 US disclosed
EP-3377482-B1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS LLC (US) 2021-05-12 EP disclosed
US-20190322687-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC (US) 2019-10-24 US disclosed
US-20190322687-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC (US) 2019-10-24 US disclosed
EP-3377482-A1 MODULATORS OF ROR-GAMMA Vitae Pharmaceuticals, Inc. (US) 2018-09-26 EP disclosed
CN-108463458-A MODULATORS OF ROR-GAMMA 生命医药公司 2018-08-28 CN 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 (2 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-11008340-B2 Modulators of ROR-gamma RORC, RORB, RORA MAPT 3682/4885CA1 2457/4885CA2 2803/4885
US-20190322687-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA MAPT 3682/4885CA1 2457/4885CA2 2803/4885

“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.