SCHEMBL23065772

SCHEMBL23065772

CC(C)(C)N[C@@H](Cc1ccc(Br)cc1)C(=O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.45
▸ HDAC6 Q9UBN7 2/20 0.45
▸ CTSS P25774 1/20 0.44
▸ CTSK P43235 1/20 0.44
▸ MME P08473 2/20 0.43
▸ FPR2 P25090 2/20 0.43
▸ LMNA P02545 2/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ ACACB O00763 1/20 0.40
▸ POLB P06746 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MMP1 P03956 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ MMP3 P08254 1/20 0.37
▸ MMP7 P09237 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ MMP13 P45452 1/20 0.37

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
SCHEMBL26897335 1.00 HDAC1 (0.45) HDAC1HDAC6CTSSCTSKMME
SCHEMBL13630710 0.86 ESR1 (0.46) CTSSCTSKMMEKMT2ASMN1; SMN2
SCHEMBL12250692 0.86 ATM (0.43) MMEMEN1KMT2ANPC1RAB9A
SCHEMBL12250708 0.86 ESR1 (0.46) CTSSCTSKMMEKMT2ASMN1; SMN2
SCHEMBL10061085 0.86 ATM (0.43) MMEMEN1KMT2ANPC1RAB9A
SCHEMBL26417010 0.86 ATM (0.43) MMEMEN1KMT2ANPC1RAB9A
SCHEMBL12250719 0.86 ESR1 (0.46) CTSSCTSKMMEKMT2ASMN1; SMN2
SCHEMBL23974737 0.84 LOXL2 (0.40) HDAC6MMESMN1; SMN2
SCHEMBL14011032 0.84 NOS2 (0.45) CTSSCTSK
SCHEMBL12250727 0.84 NOS2 (0.45) CTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230382950-A1 CYCLIC APELIN RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2023-11-30 — — US disclosed
US-20230382950-A1 CYCLIC APELIN RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2023-11-30 — — US disclosed
US-20230382949-A1 LINEAR APELIN RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2023-11-30 — — US disclosed
US-20230382949-A1 LINEAR APELIN RECEPTOR AGONISTS HEPTARES THERAPEUTICS LIMITED (GB) 2023-11-30 — — US disclosed
US-20230152316-A1 SARS-COV2 SPIKE PROTEIN BINDING PEPTIDES MASSACHUSETTS INST TECHNOLOGY (US) 2023-05-18 — — US disclosed
US-20210060121-A1 NOVEL ANTIBIOTICS AND METHODS OF USING THEM VERSITECH LIMITED (CN) 2021-03-04 — — 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 (3 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-20230382950-A1 CYCLIC APELIN RECEPTOR AGONISTS APLNR, MTNR1A, EDNRA HDAC1 2075/4885HDAC6 3711/4885CTSS 4611/4885
US-20210060121-A1 NOVEL ANTIBIOTICS AND METHODS OF USING THEM VIP, TLR5, TREH HDAC1 2988/4885HDAC6 222/4885CTSS 1813/4885
US-20230382949-A1 LINEAR APELIN RECEPTOR AGONISTS APLNR, MTNR1A, EDNRA HDAC1 3320/4885HDAC6 4165/4885CTSS 4649/4885

“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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