SCHEMBL21767455

SCHEMBL21767455

CC1(C)CCC(c2ccccc2C(Br)C(=O)OC(C)(C)C)OC1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.36
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM1A O60341 1/20 0.32
CYP3A4 P08684 1/20 0.30
USP30 Q70CQ3 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL31072024 1.00 ABCB1 (0.36) ABCB1NPC1RAB9ASMN1; SMN2KDM1A
SCHEMBL21767570 0.84 NPC1 (0.33) NPC1RAB9ASMN1; SMN2
SCHEMBL21767601 0.83 ABCB1 (0.36) ABCB1KDM1ACYP3A4IDO1
SCHEMBL31071939 0.83 ABCB1 (0.36) ABCB1KDM1ACYP3A4IDO1
SCHEMBL21767433 0.82 CTSK (0.34) ABCB1
SCHEMBL21767795 0.77 NR3C2 (0.31)
SCHEMBL31072028 0.77 FFAR4 (0.32)
SCHEMBL31072055 0.77 NR3C2 (0.31)
SCHEMBL21767615 0.77 FFAR4 (0.32)
SCHEMBL21780540 0.76 RORC (0.37) ABCB1NPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12459942-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2025-11-04 US disclosed
US-20240376095-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN SCHR¿DINGER, LLC 2024-11-14 US disclosed
US-11739087-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-08-29 US disclosed
US-11739087-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-08-29 US disclosed
US-11739087-B2 Inhibiting (α-v)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2023-08-29 US disclosed
EP-4086254-A1 INTEGRIN INHIBITORS Morphic Therapeutic, Inc. (US) 2022-11-09 EP disclosed
US-20220073511-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2022-03-10 US disclosed
US-11021480-B2 Inhibiting (α-V)(β-6) integrin MORPHIC THERAPEUTIC, INC. (US) 2021-06-01 US disclosed
CN-112805001-A Inhibition of alpha v beta 6 integrins 莫菲克医疗股份有限公司 2021-05-14 CN disclosed
US-20200385384-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN SCHRÖDINGER, LLC 2020-12-10 US disclosed
US-20200354359-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-11-12 US disclosed
WO-2020047239-A1 INHIBITING αV β6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed
WO-2020047239-A1 INHIBITING αV β6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed
US-20200071322-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-03-05 US disclosed
EP-3617206-A1 INTEGRIN INHIBITORS Morphic Therapeutic, Inc. (US) 2020-03-04 EP disclosed
EP-3617206-A1 INTEGRIN INHIBITORS Morphic Therapeutic, Inc. (US) 2020-03-04 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 (8 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-12459942-B2 Inhibiting (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV ABCB1 1358/4885NPC1 1672/4885RAB9A 917/4885
US-20220073511-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ABCB1 1436/4885NPC1 1942/4885RAB9A 1106/4885
US-20200071322-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ABCB1 1436/4885NPC1 1942/4885RAB9A 1106/4885
US-20240376095-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ABCB1 1436/4885NPC1 1942/4885RAB9A 1106/4885
US-20200354359-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ABCB1 1436/4885NPC1 1942/4885RAB9A 1106/4885
US-20200385384-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV ABCB1 1436/4885NPC1 1942/4885RAB9A 1106/4885
US-11021480-B2 Inhibiting (α-V)(β-6) integrin ITGB6, ITGA6, ITGAV ABCB1 1358/4885NPC1 1672/4885RAB9A 917/4885
US-11739087-B2 Inhibiting (α-v)(β-6) integrin ITGB6, ITGA6, ITGAV ABCB1 1358/4885NPC1 1672/4885RAB9A 917/4885

“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.