SCHEMBL5352838

SCHEMBL5352838

N#Cc1ccc(CNCC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 2/20 0.53
▸ HTT P42858 1/20 0.51
▸ SAE1 Q9UBE0 1/20 0.47
▸ UBA2 Q9UBT2 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ EPHX2 P34913 1/20 0.47
▸ CTBP2 P56545 1/20 0.46
▸ AKR1B1 P15121 1/20 0.46
▸ MMP2 P08253 1/20 0.45
▸ EGLN1 Q9GZT9 2/20 0.44
▸ MMP12 P39900 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ CYP2A6 P11509 1/20 0.42

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
SCHEMBL5346390 0.81 LOXL2 (0.53) LOXL2HTTSAE1UBA2CYP19A1
SCHEMBL7050164 0.81 LOXL2 (0.61) LOXL2HTTSAE1UBA2CYP19A1
SCHEMBL23879203 0.80 LOXL2 (0.71) LOXL2SAE1UBA2CYP19A1CA12
SCHEMBL2774523 0.80 FFAR1 (0.52) FFAR1VNN1
SCHEMBL13906054 0.79 FFAR1 (0.48) MMP2FFAR1
SCHEMBL9394696 0.79 SAE1 (0.46) LOXL2HTTSAE1UBA2CYP19A1
SCHEMBL1695664 0.78 LOXL2 (0.57) LOXL2HTTSAE1UBA2CYP19A1
SCHEMBL6163414 0.78 LOXL2 (0.49) LOXL2SAE1UBA2CYP19A1EPHX2
SCHEMBL11168780 0.77 LOXL2 (0.56) LOXL2SAE1UBA2CYP19A1CA12
SCHEMBL8897410 0.77 LOXL2 (0.61) LOXL2CYP19A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240166612-A1 ARYLTHIOETHER ACETAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS X-BIOTIX THERAPEUTICS, INC. 2024-05-23 — — US disclosed
EP-4294523-A1 ARYLTHIOETHER ACETAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS X-Biotix Therapeutics, Inc. (US) 2023-12-27 — — EP disclosed
US-11168059-B2 Amino sulfonyl compounds CV6 THERAPEUTICS (NI) LIMITED (GB) 2021-11-09 — — US disclosed
US-20190330158-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2019-10-31 — — US disclosed
WO-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 — — WO disclosed
US-7160902-B2 Amide derivatives and methods of their use ADOLOR CORPORATION (US) 2007-01-09 — — US disclosed
US-20050245511-A1 Novel compounds that inhibit tryptase activity MORPHOCHEM AG 2005-11-03 — — US disclosed
WO-2005049564-A1 AMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-06-02 — — WO disclosed
US-20050107355-A1 Amide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-05-19 — — US disclosed
EP-1206444-B1 COMPOUNDS THAT INHIBIT TRYPTASE ACTIVITY MORPHOCHEM AG (DE) 2003-11-12 — — EP disclosed
EP-0885186-B1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM THOMAE GMBH DR K (DE) 2003-03-26 — — EP disclosed
US-20020137687-A1 Novel compounds that inhibit tryptase activity MORPHOCHEM AG (DE) 2002-09-26 — — US disclosed
EP-1206444-A1 COMPOUNDS THAT INHIBIT TRYPTASE ACTIVITY Morphochem AG (DE) 2002-05-22 — — EP disclosed
WO-2001014320-A1 COMPOUNDS THAT INHIBIT TRYPTASE ACTIVITY MORPHOCHEM AG (DE) 2001-03-01 — — WO disclosed
US-6114390-A AN ARGININAMIDE OR ORNITHINAMIDE COMPOUND AS TREATING MEMORY LOSS, MIGRAINE, SLEEP DISORDERS, PAIN, CARDIOVASCULAR DISEASES, SUBARACHNOIDAL BLEEDING, VASCULAR-HYPERTROPHIC CHANGES, CEREBRAL AND CORONARY VASOSPASMS KARL THOMAE GMBH (DE) 2000-09-05 — — 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 (6 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-20020137687-A1 Novel compounds that inhibit tryptase activity TPSAB1, TPSB2, CMA1 LOXL2 1348/4885HTT 673/4885SAE1 2014/4885
US-11168059-B2 Amino sulfonyl compounds DPYD, DNPEP, DUT LOXL2 3767/4885HTT 1884/4885SAE1 925/4885
US-20190330158-A1 AMINO SULFONYL COMPOUNDS DPYD, DNPEP, DUT LOXL2 3767/4885HTT 1884/4885SAE1 925/4885
US-20050245511-A1 Novel compounds that inhibit tryptase activity TPSB2, TPSAB1, CMA1 LOXL2 1131/4885HTT 399/4885SAE1 2775/4885
US-20050107355-A1 Amide derivatives and methods of their use HRH2, SLC10A2, ALPI LOXL2 2998/4885HTT 3993/4885SAE1 2452/4885
US-20240166612-A1 ARYLTHIOETHER ACETAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS AGXT, AADAC, AGPAT2 LOXL2 305/4885HTT 658/4885SAE1 2868/4885

“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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