SCHEMBL7969288

SCHEMBL7969288

CC(C)(C=O)c1ccc(F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
RAPGEF3 O95398 2/20 0.39
TSHR P16473 2/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
SLC2A1 P11166 1/20 0.35
PTGS2 P35354 2/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RAPGEF4 Q8WZA2 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL601856 0.82 TSHR (0.52) TSHRALDH1A1
SCHEMBL530151 0.79 HTT (0.42) HTTRAPGEF3TSHRAKR1C3AKR1C2
SCHEMBL31499494 0.78 AKR1C3 (0.44) HTTRAPGEF3TSHRAKR1C3AKR1C2
SCHEMBL603094 0.77 VCP (0.38) TSHRAKR1C3AKR1C2ALDH1A1NPC1
SCHEMBL2792621 0.76 PDE2A (0.45) HTTRAPGEF3TSHRAKR1C3AKR1C2
SCHEMBL12264367 0.76 MEN1 (0.45) HTTRAPGEF3TSHRAKR1C3AKR1C2
SCHEMBL22155098 0.76 HTT (0.40) HTTRAPGEF3TSHRAKR1C3AKR1C2
SCHEMBL1806495 0.74 MEN1 (0.52) HTTTSHRMEN1KMT2ANPC1
SCHEMBL27304752 0.74 MEN1 (0.43) HTTRAPGEF3TSHRAKR1C3AKR1C2
SCHEMBL604099 0.74 NPSR1 (0.39) RAPGEF3TSHRALDH1A1KMT2ANPC1

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 8 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
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
US-6271385-B1 FUNGICIDES (SUCH AS THOSE FOR USE IN FARMING AND HORTICULTURE). KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
EP-1020441-A1 N-HETEROCYCLIC METHYLPROPYLAMINE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND GERMICIDES KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2000-07-19 EP 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 HTT 4353/4885RAPGEF3 779/4885TSHR 971/4885

“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.