SCHEMBL20487521

SCHEMBL20487521

C[C@@H](OS(C)(=O)=O)c1ccc(C#N)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 2/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 2/20 0.41
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2A6 P11509 2/20 0.38
PTGS2 P35354 1/20 0.37
CA12 O43570 1/20 0.37
CYP19A1 P11511 3/20 0.36
MMP1 P03956 2/20 0.35
MMP2 P08253 2/20 0.35
MMP3 P08254 2/20 0.35
MMP7 P09237 2/20 0.35
MMP9 P14780 2/20 0.35
MMP13 P45452 2/20 0.35
HTT P42858 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
SCHEMBL14646429 1.00 GRIA4 (0.43) GRIA4GRIA1GRIA2GRIA3CA1
SCHEMBL15318148 1.00 GRIA4 (0.43) GRIA4GRIA1GRIA2GRIA3CA1
SCHEMBL5435637 0.84 CA1 (0.42) GRIA4GRIA1GRIA2GRIA3CA1
SCHEMBL507941 0.78 GRIA1 (0.41) GRIA4GRIA1GRIA2GRIA3CA1
SCHEMBL17789740 0.77 ALDH1A1 (0.41) GRIA4CA1CA2CA9ALDH1A1
SCHEMBL22481508 0.76 KDM4E (0.36) CA1CA2CA9ALDH1A1HTT
SCHEMBL8551002 0.76 ADRB2 (0.43) CA1CA2CA9TSHRALDH1A1
SCHEMBL18504414 0.76 ALDH1A1 (0.39) CA1CA2CA9ALDH1A1CYP2A6
SCHEMBL5958113 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL15687372 0.76 ENPP2 (0.43) TSHRALDH1A1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008336-B2 Compounds useful for inhibiting RORγt ELI LILLY AND COMPANY (US) 2021-05-18 US disclosed
EP-3589638-B1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T LILLY CO ELI (US) 2021-04-07 EP disclosed
US-20200048279-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T ELI LILLY AND COMPANY 2020-02-13 US disclosed
WO-2018160550-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T ELI LILLY AND COMPANY (US) 2018-09-07 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-11008336-B2 Compounds useful for inhibiting RORγt RORB, RORC, RORA GRIA4 495/4885GRIA1 245/4885GRIA2 418/4885
US-20200048279-A1 COMPOUNDS USEFUL FOR INHIBITING ROR-GAMMA-T RORC, RORB, RORA GRIA4 982/4885GRIA1 597/4885GRIA2 789/4885

“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.