SCHEMBL16009246

SCHEMBL16009246

CC(C)(C)c1cc(Br)ccc1NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.49
ALDH1A1 P00352 5/20 0.44
RBP4 P02753 1/20 0.44
KDM4E B2RXH2 2/20 0.41
MAPT P10636 4/20 0.40
POLB P06746 2/20 0.40
HTT P42858 1/20 0.40
USP2 O75604 1/20 0.40
ALPL P05186 1/20 0.40
ALOX15 P16050 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK1 P28482 1/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 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
SCHEMBL382603 0.86 ALDH1A1 (0.55) PTGDR2ALDH1A1RBP4KDM4EMAPT
SCHEMBL12445322 0.81 AAK1 (0.48) PTGDR2RBP4POLBUSP2ALPL
SCHEMBL10762782 0.81 CYP2C9 (0.50) ALDH1A1MAPTHTTCYP2C9MAPK1
SCHEMBL6033054 0.80 POLB (0.53) PTGDR2ALDH1A1KDM4EMAPTPOLB
SCHEMBL15709745 0.80 SMN1; SMN2 (0.54) PTGDR2ALDH1A1RBP4KDM4EMAPT
SCHEMBL14995908 0.79 MAPK1 (0.49) PTGDR2ALDH1A1RBP4KDM4EMAPT
SCHEMBL14995910 0.79 MAPK1 (0.49) PTGDR2ALDH1A1RBP4KDM4EMAPT
SCHEMBL22749629 0.78 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTALOX15MEN1
SCHEMBL3440627 0.78 ALDH1A1 (0.59) ALDH1A1MAPTPOLBHTTMEN1
SCHEMBL14053110 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTPOLBALOX15

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-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-08-27 US disclosed
EP-2970312-B1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2017-11-15 EP disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
EP-2970312-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME The Regents of The University of Michigan (US) 2016-01-20 EP disclosed
WO-2014164596-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-10-09 WO disclosed
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-11 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 (3 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-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same BRD4, BRDT, BRD3 PTGDR2 3730/4885ALDH1A1 4162/4885RBP4 3817/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 PTGDR2 3730/4885ALDH1A1 4162/4885RBP4 3817/4885
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 PTGDR2 3730/4885ALDH1A1 4162/4885RBP4 3817/4885

“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.