SCHEMBL17109828

SCHEMBL17109828

CCOC(=O)c1c(C2CCN(C(=O)OC(C)(C)C)CC2)cc(C)n(C)c1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.49
▸ THRB P10828 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ GPR119 Q8TDV5 3/20 0.46
▸ TP53 P04637 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HPGD P15428 3/20 0.45
▸ ADORA1 P30542 1/20 0.43
▸ ALOX15 P16050 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL17109829 0.83 KDM4E (0.49) KDM4ETHRBMAPTGPR119TP53
SCHEMBL17092161 0.80 HPGD (0.49) KDM4ETHRBMAPTGPR119TP53
SCHEMBL27308580 0.78 ADORA1 (0.53) KDM4ETHRBMAPTGPR119TP53
SCHEMBL27154594 0.75 NPSR1 (0.50) KDM4ETHRBMAPTGPR119TP53
SCHEMBL27359025 0.74 GPR119 (0.55) KDM4ETHRBMAPTGPR119TP53
SCHEMBL14875387 0.74 NPSR1 (0.46) KDM4ETHRBMAPTGPR119TP53
SCHEMBL21543949 0.74 ALDH1A1 (0.53) KDM4ETHRBMAPTGPR119TP53
SCHEMBL17092370 0.73 ALDH1A1 (0.47) KDM4ETHRBMAPTGPR119TP53
SCHEMBL27153493 0.72 ALDH1A1 (0.49) KDM4ETHRBMAPTGPR119TP53
SCHEMBL30736652 0.72 TP53 (0.54) KDM4EMAPTGPR119TP53POLB

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-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 — — US disclosed
US-10035790-B2 RORγ modulators EXELIXIS, INC. (US) 2018-07-31 — — US disclosed
US-20150266856-A1 RORGamma Modulators EXELIXIS, INC. 2015-09-24 — — US disclosed
US-20150266856-A1 RORGamma Modulators EXELIXIS, INC. 2015-09-24 — — 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 (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-20150266856-A1 RORGamma Modulators RORB, RORA, RORC KDM4E 3043/4885THRB 51/4885MAPT 3021/4885
US-10035790-B2 RORγ modulators RORB, RORA, RORC KDM4E 2426/4885THRB 141/4885MAPT 3030/4885

“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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