Sugi Predict

Sugi Predict / Compounds / SCHEMBL24608331

SCHEMBL24608331

SCHEMBL24608331

Cc1ccc(C(C)(C)C(=O)c2ccc(NC(=O)OC(C)(C)C)cn2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.46
▸ MAPKAPK2 P49137 3/20 0.41
▸ DGAT1 O75907 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ BCL2 P10415 1/20 0.38
▸ P4HTM Q9NXG6 1/20 0.38
▸ CYP17A1 P05093 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ KCNQ3 O43525 1/20 0.37
▸ KCNQ2 O43526 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ PSMB8 P28062 1/20 0.37
▸ MAP4K4 O95819 1/20 0.36
▸ NPC1 O15118 1/20 0.36

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
SCHEMBL29750520 1.00 NAMPT (0.46) NAMPTMAPKAPK2DGAT1SMN1; SMN2MEN1
SCHEMBL29700895 1.00 NAMPT (0.46) NAMPTMAPKAPK2DGAT1SMN1; SMN2MEN1
SCHEMBL24608494 0.86 P4HTM (0.46) NAMPTSMN1; SMN2MEN1MAPTKMT2A
SCHEMBL30641826 0.85 NAMPT (0.57) NAMPTSMN1; SMN2MAPTBCL2CYP17A1
SCHEMBL24608489 0.85 NAMPT (0.57) NAMPTSMN1; SMN2MAPTBCL2CYP17A1
SCHEMBL376258 0.85 NAMPT (0.56) NAMPTMAPKAPK2DGAT1CYP17A1NPSR1
SCHEMBL30208803 0.85 NAMPT (0.56) NAMPTMAPKAPK2DGAT1CYP17A1NPSR1
SCHEMBL24608707 0.85 P4HTM (0.47) NAMPTMAPKAPK2SMN1; SMN2BCL2P4HTM
SCHEMBL24608569 0.85 KCNQ3 (0.46) NAMPTMAPTCYP17A1KCNQ3KCNQ2
SCHEMBL24608266 0.85 BCL2 (0.49) NAMPTSMN1; SMN2MEN1KMT2ABCL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2024-09-26 — — US disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 — — EP disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 — — EP disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 — — WO disclosed
CN-114685363-A ROR gamma t regulator, preparation method and application thereof 上海医药集团股份有限公司 2022-07-01 — — 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 (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-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF RORC, RORB, RORA NAMPT 404/4885MAPKAPK2 1128/4885DGAT1 1613/4885

“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.