SCHEMBL2553570

SCHEMBL2553570

O=C(Cc1ccc(Br)cc1F)N1C(=O)OCC1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NAAA Q02083 2/20 0.38
KDM1A O60341 1/20 0.37
NPC1 O15118 1/20 0.36
PDPK1 O15530 1/20 0.36
DPP4 P27487 2/20 0.36
PPARA Q07869 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
DPP7 Q9UHL4 1/20 0.35

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
SCHEMBL15092485 1.00 AKR1B1 (0.39) AKR1B1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL2552573 1.00 AKR1B1 (0.39) AKR1B1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL19183085 0.89 SIGMAR1 (0.45) NAAADPP4PPARASIGMAR1DPP7
SCHEMBL19183086 0.89 SIGMAR1 (0.45) NAAADPP4PPARASIGMAR1DPP7
SCHEMBL8164388 0.88 NAAA (0.38) NAAAPPARASIGMAR1
SCHEMBL12278618 0.88 DPP4 (0.38) NAAADPP4PPARASIGMAR1DPP7
SCHEMBL16737997 0.88 NAAA (0.41) CYP2C9NAAANPC1PPARA
SCHEMBL8164149 0.88 NAAA (0.40) NAAAPPARA
SCHEMBL3308822 0.88 NAAA (0.41) CYP2C9NAAANPC1PPARA
SCHEMBL3308816 0.88 NAAA (0.41) CYP2C9NAAANPC1PPARA

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-9453025-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2016-09-27 US disclosed
EP-2552206-B1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE INC (JP) 2015-07-22 EP disclosed
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same ONCOTHERAPY SCIENCE INC (JP) 2015-07-02 US disclosed
US-8962648-B2 Tricyclic compounds and PBK inhibitors containing the same ONCOTHERAPY SCIENCE, INC. (JP) 2015-02-24 US disclosed
US-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2013-07-11 US disclosed
EP-2552206-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME OncoTherapy Science, Inc. (JP) 2013-02-06 EP disclosed
WO-2011123419-A1 TRYCYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-10-06 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-20130178459-A1 TRICYCLIC COMPOUNDS AND PBK INHIBITORS CONTAINING THE SAME PBDC1, SBK1, PLK2 AKR1B1 2185/4885MEN1 2971/4885KMT2A 1532/4885
US-20150183799-A1 Tricyclic Compounds and PBK Inhibitors Containing the Same PBDC1, SBK1, PLK2 AKR1B1 2185/4885MEN1 2971/4885KMT2A 1532/4885

“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.