SCHEMBL443098

SCHEMBL443098

C[C@H](COc1ccc(C(=O)NO)cc1)NC(=O)/C=C/c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.55
TAS1R1 Q7RTX1 2/20 0.55
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
GAA P10253 1/20 0.52
RECQL P46063 1/20 0.52
MTNR1A P48039 3/20 0.50
MTNR1B P49286 3/20 0.50
EGFR P00533 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HDAC1 Q13547 5/20 0.49
PPARG P37231 1/20 0.48
HDAC3 O15379 4/20 0.48
HDAC4 P56524 4/20 0.48

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
SCHEMBL443097 1.00 TAS1R3 (0.55) TAS1R3TAS1R1ALDH1A1CYP1A2CYP3A4
SCHEMBL444497 1.00 TAS1R3 (0.55) TAS1R3TAS1R1ALDH1A1CYP1A2CYP3A4
SCHEMBL448271 0.89 TAS1R3 (0.47) TAS1R3TAS1R1ALDH1A1CYP1A2CYP3A4
SCHEMBL442959 0.89 TAS1R3 (0.47) TAS1R3TAS1R1ALDH1A1CYP1A2CYP3A4
SCHEMBL442958 0.89 TAS1R3 (0.47) TAS1R3TAS1R1ALDH1A1CYP1A2CYP3A4
SCHEMBL27629189 0.88 ALDH1A1 (0.56) TAS1R3TAS1R1ALDH1A1CYP1A2CYP3A4
SCHEMBL27629184 0.88 ALDH1A1 (0.56) TAS1R3TAS1R1ALDH1A1CYP1A2CYP3A4
SCHEMBL445758 0.87 TAS1R3 (0.61) TAS1R3TAS1R1EGFRMAOAMAOB
SCHEMBL444856 0.87 TAS1R3 (0.61) TAS1R3TAS1R1EGFRMAOAMAOB
SCHEMBL27649281 0.87 ALDH1A1 (0.55) TAS1R3TAS1R1ALDH1A1CYP1A2CYP3A4

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-8779171-B2 Hydroxamates as therapeutic agents PHARMACYCLICS, INC. (US) 2014-07-15 US disclosed
US-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2013-06-06 US disclosed
US-8389570-B2 Hydroxamates as therapeutic agents PHARMACYCLICS, INC. (US) 2013-03-05 US disclosed
US-20120064032-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS PHARMACYCLICS, INC. (US) 2012-03-15 US disclosed
US-7517988-B2 N-hydroxy-4-[2-(benzofuran-2-ylcarbonylamino)ethylsulfonyl]-benzamide; hepatitis C; inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2009-04-14 US disclosed
US-7482466-B2 For hepatitis C; histone deacetylase inhibitors; N-hydroxy-4-{[(naphthyl-carbonylamino]alkoxy}benzamides; anticarcinogenic agent; acute promyelocytic leukemia; cell-cycle arrest in late G1 phase or at the G2/M transition PHARMACYCLICS, INC. (US) 2009-01-27 US disclosed
US-20080255221-A1 N-hydroxy-4-[2-(benzofuran-2-ylcarbonylamino)ethylsulfonyl]-benzamide; hepatitis C; inhibitors of histone deacetylase PHARMACYCLICS, INC. (US) 2008-10-16 US disclosed
US-20080255214-A1 For hepatitis C; histone deacetylase inhibitors; N-hydroxy-4-{[(naphthyl-carbonylamino]alkoxy}benzamides; anticarcinogenic agent; acute promyelocytic leukemia; cell-cycle arrest in late G1 phase or at the G2/M transition PHARMACYCLICS, INC. (US) 2008-10-16 US disclosed
US-20070293540-A1 for hepatitis C; histone deacetylase inhibitors; N-hydroxy-4-{[(naphthyl-carbonylamino]alkoxy}benzamides; anticarcinogenic agent; acute promyelocytic leukemia; cell-cycle arrest in late G1 phase or at the G2/M transition PHARMACYCLICS, INC. 2007-12-20 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 (5 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-20070293540-A1 for hepatitis C; histone deacetylase inhibitors; N-hydroxy-4-{[(naphthyl-carbonylamino]alkoxy}benzamides; anticarcinogenic agent; acute promyelocytic leukemia; cell-cycle arrest in late G1 phase or at the G2/M transition HDAC3, HDAC1, CDC25C TAS1R3 4569/4885TAS1R1 4711/4885ALDH1A1 643/4885
US-20130142758-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 TAS1R3 3977/4885TAS1R1 4150/4885ALDH1A1 871/4885
US-20080255214-A1 For hepatitis C; histone deacetylase inhibitors; N-hydroxy-4-{[(naphthyl-carbonylamino]alkoxy}benzamides; anticarcinogenic agent; acute promyelocytic leukemia; cell-cycle arrest in late G1 phase or at the G2/M transition HDAC3, HDAC1, CDC25C TAS1R3 4569/4885TAS1R1 4711/4885ALDH1A1 643/4885
US-20120064032-A1 NOVEL HYDROXAMATES AS THERAPEUTIC AGENTS HDAC1, HDAC3, HDAC5 TAS1R3 3977/4885TAS1R1 4150/4885ALDH1A1 871/4885
US-20080255221-A1 N-hydroxy-4-[2-(benzofuran-2-ylcarbonylamino)ethylsulfonyl]-benzamide; hepatitis C; inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 TAS1R3 4506/4885TAS1R1 4660/4885ALDH1A1 880/4885

“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.