SCHEMBL3626653

SCHEMBL3626653

COC(=O)[C@@H](N)Cc1ccc(-c2cc(F)nc(F)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
PTGS2 P35354 1/20 0.42
TPH1 P17752 9/20 0.41
HDAC1 Q13547 5/20 0.39
HDAC6 Q9UBN7 5/20 0.39

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
SCHEMBL3626658 1.00 ALDH1A1 (0.45) ALDH1A1PTGS2TPH1HDAC1HDAC6
Hydrochloric Acid SCHEMBL539714 0.99 ALDH1A1 (0.47) ALDH1A1PTGS2TPH1HDAC1HDAC6
SCHEMBL3627994 0.86 ROCK2 (0.44) ALDH1A1
SCHEMBL3627997 0.86 ROCK2 (0.44) ALDH1A1
SCHEMBL540047 0.85 ALDH1A1 (0.46) ALDH1A1PTGS2TPH1HDAC1HDAC6
Hydrochloric Acid SCHEMBL27867086 0.85 ALDH1A1 (0.45) ALDH1A1
Hydrochloric Acid SCHEMBL539760 0.85 ALDH1A1 (0.45) ALDH1A1
SCHEMBL540371 0.84 DPP4 (0.50) ALDH1A1TPH1
SCHEMBL540023 0.84 DPP4 (0.50) ALDH1A1TPH1
Hydrochloric Acid SCHEMBL540046 0.84 ALDH1A1 (0.48) ALDH1A1PTGS2TPH1HDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175003-B2 Substituted azoanthracene derivatives and intermediates for preparation thereof VTV THERAPEUTICS LLC (US) 2015-11-03 US disclosed
EP-2413693-B1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF VTV THERAPEUTICS LLC (US) 2015-09-09 EP disclosed
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof VTV THERAPEUTICS LLC 2015-05-28 US disclosed
US-8987295-B2 Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA, LLC (US) 2015-03-24 US disclosed
US-20130096150-A1 Substituted Azoanthracene Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2013-04-18 US disclosed
US-8383644-B2 Substituted azoanthracene derivatives, pharmaceutical compositions, and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-02-26 US disclosed
WO-2010114824-A1 SUBSTITUTED AZOANTHRACENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF TRANSTECH PHARMA INC (US) 2010-10-07 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-20130096150-A1 Substituted Azoanthracene Derivatives, Pharmaceutical Compositions, and Methods of Use Thereof GLP1R, GIPR, GPR119 ALDH1A1 1899/4885PTGS2 553/4885TPH1 1016/4885
US-20150148539-A1 Substituted Azoanthracene Derivatives and Intermediates for Preparation Thereof GLP1R, GIPR, GPR119 ALDH1A1 737/4885PTGS2 652/4885TPH1 485/4885

“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.