SCHEMBL3586719

SCHEMBL3586719

COc1cccc(CCOCCC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
HDAC1 Q13547 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
FFAR1 O14842 2/20 0.51
MTNR1A P48039 2/20 0.51
MTNR1B P49286 2/20 0.51
RAB9A P51151 1/20 0.49
CTBP2 P56545 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.49

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
SCHEMBL346302 0.86 FFAR1 (0.65) CYP1A2HDAC1HDAC6TAAR1FFAR1
SCHEMBL29669893 0.83 HDAC1 (0.63) CYP1A2HDAC1HDAC6TAAR1FFAR1
SCHEMBL7758273 0.83 HDAC1 (0.63) CYP1A2HDAC1HDAC6TAAR1FFAR1
SCHEMBL24894484 0.82 FFAR1 (0.51) FFAR1KMT2ALMNA
SCHEMBL13225835 0.82 HDAC1 (0.47) CYP1A2HDAC1HDAC6TAAR1MTNR1A
SCHEMBL1206248 0.82 HDAC1 (0.70) CYP1A2HDAC1HDAC6TAAR1MTNR1A
SCHEMBL3587968 0.82 FFAR4 (0.54) HDAC1HDAC6TAAR1FFAR1CTBP2
SCHEMBL28188589 0.82 HDAC1 (0.70) CYP1A2HDAC1HDAC6TAAR1MTNR1A
SCHEMBL3164270 0.81 TAAR1 (0.57) HDAC1HDAC6TAAR1MTNR1AMTNR1B
SCHEMBL710937 0.81 HDAC1 (0.72) CYP1A2HDAC1HDAC6MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210688-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-20100210688-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-20100210688-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 US disclosed
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 US disclosed
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 US disclosed
EP-1915354-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2007018461-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
WO-2007018461-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES ASTRAZENECA AB (SE) 2007-02-15 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 (2 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-20080300275-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 CYP1A2 481/4885HDAC1 544/4885HDAC6 429/4885
US-20100210688-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 CYP1A2 481/4885HDAC1 544/4885HDAC6 429/4885

“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.