SCHEMBL22235452

SCHEMBL22235452

CC(C)(C)c1cc(-n2c(C(F)(F)F)nc3cc(C(=O)O)ccc32)cc(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 5/20 0.54
▸ HTT P42858 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.49
▸ PPARG P37231 1/20 0.46
▸ NR1H3 Q13133 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ THRB P10828 1/20 0.43
▸ TEAD1 P28347 1/20 0.43
▸ TEAD4 Q15561 1/20 0.43
▸ TEAD2 Q15562 1/20 0.43
▸ TEAD3 Q99594 1/20 0.43
▸ HCAR3 P49019 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PTGER4 P35408 1/20 0.40
▸ IDH1 O75874 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL22235760 0.87 KDM4E (0.45) RXRAHTTPPARGNR1H3L3MBTL1
SCHEMBL1356434 0.76 MEN1 (0.47) RXRAHSD17B10THRBL3MBTL1KDM4E
SCHEMBL3891661 0.74 KMT2A (0.66) RXRAHTTHSD17B10PPARGNR1H3
SCHEMBL23168586 0.74 RXRA (0.51) RXRAHTTHSD17B10PPARGNR1H3
SCHEMBL122663 0.73 HSD17B10 (0.72) RXRAHTTHSD17B10SMN1; SMN2THRB
SCHEMBL2093959 0.72 CYP2C9 (0.53) RXRAHSD17B10KDM4E
SCHEMBL17326555 0.71 RXRA (0.47) RXRAHTTHSD17B10PPARGNR1H3
SCHEMBL17053794 0.70 RXRA (1.00) RXRAPPARGNR1H3RXRBRXRG
SCHEMBL17326600 0.70 RXRA (0.61) RXRAPPARGNR1H3SMN1; SMN2THRB
SCHEMBL29922328 0.69 HSD17B10 (0.44) RXRAHSD17B10PTGER4KDM4E

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-20220089540-A1 COMPOSITIONS AND METHODS FOR IMMUNE MODULATION AND TREATMENT OF CANCER BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2022-03-24 — — US disclosed
EP-3911309-A1 COMPOSITIONS AND METHODS FOR IMMUNE MODULATION AND TREATMENT OF CANCER Board Of Trustees Of Michigan State University (US) 2021-11-24 — — EP disclosed
WO-2020150668-A1 COMPOSITIONS AND METHODS FOR IMMUNE MODULATION AND TREATMENT OF CANCER BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2020-07-23 — — 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 (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-20220089540-A1 COMPOSITIONS AND METHODS FOR IMMUNE MODULATION AND TREATMENT OF CANCER PDCD1, CD274, PDCD1LG2 RXRA 7/4885HTT 4554/4885HSD17B10 3318/4885

“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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