SCHEMBL1975243

SCHEMBL1975243

BrC[C@H]1CCCC[C@@H]1CBr

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL1975245 1.00 CA1 (0.32) CA1CA2CA4ALDH1A1
SCHEMBL6299469 1.00 CA1 (0.32) CA1CA2CA4ALDH1A1
SCHEMBL1975244 1.00 CA1 (0.32) CA1CA2CA4ALDH1A1
SCHEMBL2548263 0.92
SCHEMBL8728380 0.85 TDP1 (0.41) CA1CA2CA4
SCHEMBL13670463 0.85
SCHEMBL8344814 0.84
SCHEMBL4104342 0.84
SCHEMBL8213682 0.81
SCHEMBL17451026 0.78

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 130 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292224-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. 2019-09-26 US disclosed
US-10328117-B2 Bis-sulfhydryl macrocyclization systems AILERON THERAPEUTICS, INC. (US) 2019-06-25 US disclosed
US-20190185518-A9 WARHEAD-CONTAINING PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF BFL-1 AILERON THERAPEUTICS, INC. 2019-06-20 US disclosed
US-10300109-B2 Peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2019-05-28 US disclosed
US-10227380-B2 Triazole-crosslinked and thioether-crosslinked peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2019-03-12 US disclosed
US-20190071469-A1 THERAPEUTIC PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS INC (US) 2019-03-07 US disclosed
US-10022422-B2 Peptidomimetic macrocycles Alleron Therapeutics, Inc. (US) 2018-07-17 US disclosed
US-10023613-B2 Peptidomimetic macrocycles as modulators of MCL-1 AILERON THERAPEUTICS, INC. (US) 2018-07-17 US disclosed
US-10022422-B2 Peptidomimetic macrocycles Alleron Therapeutics, Inc. (US) 2018-07-17 US disclosed
US-20180085426-A1 PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS INC (US) 2018-03-29 US disclosed
US-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2009-12-31 US disclosed
US-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2009-12-31 US disclosed
WO-2009149214-A2 COMPOSITIONS AND METHODS FOR ENHANCING CELLULAR TRANSPORT OF BIOMOLECULES AILERON THERAPEUTICS, INC. (US) 2009-12-10 WO disclosed
US-20090275519-A1 Therapeutic peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2009-11-05 US disclosed
US-20090275519-A1 Therapeutic peptidomimetic macrocycles AILERON THERAPEUTICS, INC. (US) 2009-11-05 US disclosed
US-20090088553-A1 Bis-Sulfhydryl Macrocyclization Systems AILERON THERAPEUTICS, INC., A DELAWARE CORPORATION (US) 2009-04-02 US disclosed
US-20090088553-A1 Bis-Sulfhydryl Macrocyclization Systems AILERON THERAPEUTICS, INC., A DELAWARE CORPORATION (US) 2009-04-02 US disclosed
US-20090047711-A1 BIS-SULFHYDRYL MACROCYCLIZATION SYSTEMS AILERON THERAPEUTICS, INC. (US) 2009-02-19 US disclosed
US-20090047711-A1 BIS-SULFHYDRYL MACROCYCLIZATION SYSTEMS AILERON THERAPEUTICS, INC. (US) 2009-02-19 US disclosed
WO-2008076904-A1 BIS-SULFHYDRYL MACROCYCLIZATION SYSTEMS AILERON THERAPEUTICS, INC. (US) 2008-06-26 WO 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 (13 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-10023613-B2 Peptidomimetic macrocycles as modulators of MCL-1 MCL1, BCL2L1, BCL2L11 CA1 4418/4885CA2 4737/4885CA4 4883/4885
US-20090326192-A1 BIOLOGICALLY ACTIVE PEPTIDOMIMETIC MACROCYCLES VIP, ANPEP, DNPEP CA1 3259/4885CA2 3748/4885CA4 3418/4885
US-20180085426-A1 PEPTIDOMIMETIC MACROCYCLES GLP1R, PROKR1, VIP CA1 2330/4885CA2 2741/4885CA4 2415/4885
US-20090088553-A1 Bis-Sulfhydryl Macrocyclization Systems CBS, HLCS, CTH CA1 2044/4885CA2 2681/4885CA4 3358/4885
US-20090047711-A1 BIS-SULFHYDRYL MACROCYCLIZATION SYSTEMS CBS, HLCS, CTH CA1 2044/4885CA2 2681/4885CA4 3358/4885
US-10328117-B2 Bis-sulfhydryl macrocyclization systems CBS, HLCS, SCLY CA1 1890/4885CA2 3052/4885CA4 3622/4885
US-20190071469-A1 THERAPEUTIC PEPTIDOMIMETIC MACROCYCLES PCNA, MKI67, NFATC1 CA1 4416/4885CA2 4308/4885CA4 3926/4885
US-20190185518-A9 WARHEAD-CONTAINING PEPTIDOMIMETIC MACROCYCLES AS MODULATORS OF BFL-1 BCL2L11, BCL2L1, BCL2L13 CA1 3103/4885CA2 3931/4885CA4 4692/4885
US-20190292224-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES IL33, TPR, CDC37 CA1 3190/4885CA2 4345/4885CA4 3179/4885
US-10227380-B2 Triazole-crosslinked and thioether-crosslinked peptidomimetic macrocycles IL33, TPR, CDC37 CA1 3190/4885CA2 4345/4885CA4 3179/4885
US-20090275519-A1 Therapeutic peptidomimetic macrocycles PCNA, MKI67, NFATC1 CA1 4416/4885CA2 4308/4885CA4 3926/4885
US-10300109-B2 Peptidomimetic macrocycles TCF4, CTNNB1, WNT1 CA1 3510/4885CA2 4577/4885CA4 1845/4885
US-10022422-B2 Peptidomimetic macrocycles HAVCR2, ZC3HAV1, ZC3HAV1L CA1 3641/4885CA2 3758/4885CA4 3303/4885

“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.