SCHEMBL20282923

SCHEMBL20282923

CCS(=O)(=O)c1ccc(CNC(=O)N2CC(C(=O)OC)C(c3ccccc3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 8/20 0.47
▸ NAMPT P43490 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ SLC6A2 P23975 2/20 0.44
▸ SLC6A4 P31645 2/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ MMP1 P03956 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ MMP7 P09237 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ TACR1 P25103 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL21783706 1.00 RORC (0.47) RORCNAMPTPKMSLC6A2SLC6A4
SCHEMBL20282922 0.91 RORC (0.49) RORCNAMPTPKMCA1CA2
SCHEMBL21783621 0.91 RORC (0.49) RORCNAMPTPKMCA1CA2
SCHEMBL20282907 0.90 RORC (0.56) RORCNAMPTPKMCA1CA2
SCHEMBL23021429 0.84 RORC (0.48) RORCSLC6A2SLC6A4SLC6A3TACR1
SCHEMBL23021587 0.84 RORC (0.48) RORCSLC6A2SLC6A4SLC6A3TACR1
SCHEMBL21783697 0.79 RORC (0.51) RORCNAMPTNR1I2TACR1
SCHEMBL20283006 0.79 RORC (0.51) RORCNR1I2TACR1
SCHEMBL20282938 0.78 RORC (0.46) RORCNAMPTCA1CA2CA9
SCHEMBL20283160 0.78 RORC (0.45) RORCNAMPTCA1CA2CA9

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
US-10954215-B2 Compounds as modulators of ROR gamma BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-23 — — US disclosed
US-20200071298-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-03-05 — — US disclosed
WO-2018111803-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-21 — — WO 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-10954215-B2 Compounds as modulators of ROR gamma RORB, RORC, RORA RORC 2/4885NAMPT 1562/4885PKM 2613/4885
US-20200071298-A1 COMPOUNDS AS MODULATORS OF ROR GAMMA RORC, RORB, RORA RORC 1/4885NAMPT 1203/4885PKM 2628/4885

“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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