SCHEMBL23354548

SCHEMBL23354548

COC(=O)c1ccc(C)c(C)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.49
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GLA P06280 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ATM Q13315 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL6096081 0.86 CA12 (0.44) NCEH1CA12CA1CA2CA7
SCHEMBL19608389 0.85 CA12 (0.43) NCEH1CA12CA1CA2CA7
SCHEMBL8380028 0.83 CA1 (0.52) CA12CA1CA2CA7CA9
SCHEMBL9423556 0.83 CA12 (0.42) CA12CA1CA2CA7CA9
SCHEMBL3494181 0.82 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL31719911 0.81 NPC1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL1482981 0.81 NPC1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL9375273 0.81 KDM4E (0.46) CA12CA1CA2CA7CA9
SCHEMBL19602447 0.79 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL26493473 0.79 SLC6A3 (0.54) NCEH1CA1CA2CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12398120-B2 Substituted hydantoinamides as ADAMTS7 antagonists BAYER AKTIENGESELLSCHAFT (DE) 2025-08-26 US disclosed
EP-4058448-B1 HYDANTOIN DERIVATIVES AS ADAMTS7 ANTAGONISTS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER AG (DE) 2024-05-29 EP disclosed
US-20230027346-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2023-01-26 US disclosed
EP-4058448-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS Bayer Aktiengesellschaft (DE) 2022-09-21 EP disclosed
CN-113185404-B 1, 2-biaxial chiral biaryl compound and preparation method and application thereof 武汉大学 2022-08-05 CN disclosed
CN-113185404-A 1, 2-biaxial chiral biaryl compound and preparation method and application thereof 武汉大学 2021-07-30 CN disclosed
WO-2021094436-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2021-05-20 WO disclosed
EP-3822268-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS Bayer Aktiengesellschaft (DE) 2021-05-19 EP disclosed
CN-106536508-A ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE 武田药品工业株式会社 2017-03-22 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 (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-12398120-B2 Substituted hydantoinamides as ADAMTS7 antagonists ADAMTS7, MMP7, ADAM17 NCEH1 943/4885CA12 3473/4885CA1 2367/4885
US-20230027346-A1 SUBSTITUTED HYDANTOINAMIDES AS ADAMTS7 ANTAGONISTS ADAMTS7, MMP7, ADAM17 NCEH1 943/4885CA12 3473/4885CA1 2367/4885

“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.