SCHEMBL1173587

SCHEMBL1173587

O=S(=O)(Oc1cc(C(F)(F)F)c2ccccc2n1)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.53
C1R P00736 1/20 0.39
PDE4A P27815 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
ELANE P08246 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ACP1 P24666 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
RAB9A P51151 1/20 0.36
PDE4B Q07343 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 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
SCHEMBL8502299 0.82 L3MBTL1 (0.50) BACE1PDE4APDE4CPDE4DALDH1A1
SCHEMBL1173785 0.82 ELANE (0.44) BACE1PDE4APDE4CPDE4DELANE
SCHEMBL1173376 0.81 LTB4R (0.48) PDE4APDE4CPDE4D
SCHEMBL5665844 0.80 ALOX15 (0.50) PDE4DALDH1A1L3MBTL1RAB9ACYP1A2
SCHEMBL25252449 0.79 CA1 (0.34) BACE1PDE4APDE4CPDE4DCA1
SCHEMBL1173567 0.79 LTB4R (0.45) PDE4APDE4CPDE4D
SCHEMBL13763620 0.78 BACE1 (0.58) BACE1ALDH1A1L3MBTL1ACP1CYP1A2
SCHEMBL2749092 0.77 PDE4A (0.44) BACE1PDE4APDE4CPDE4DALDH1A1
SCHEMBL25290039 0.76 ADORA2A (0.38) PDE4APDE4CPDE4DCA1CA2
SCHEMBL17480046 0.76 SMN1; SMN2 (0.42) PDE4APDE4CPDE4DELANEL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066368-A1 DNA POLYMERASE THETA INHIBITOR AND USE THEREOF SHANGHAI APEIRON THERAPEUTICS COMPANY LIMITED (CN) 2025-02-27 US disclosed
EP-4455129-A1 DNA POLYMERASE THETA INHIBITOR AND USE THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2024-10-30 EP disclosed
WO-2023125918-A1 DNA POLYMERASE THETA INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-07-06 WO disclosed
US-8436173-B2 Boron compounds, their production processes, and functional electronic devices using same KYOTO UNIVERSITY (JP) 2013-05-07 US disclosed
US-20110046372-A1 NOVEL BORON COMPOUNDS, THEIR PRODUCTION PROCESSES, AND FUNCTIONAL ELECTRONIC DEVICES USING SAME Kyoto University and Nippon Shokubai Co., LTD. 2011-02-24 US disclosed
US-20110046372-A1 NOVEL BORON COMPOUNDS, THEIR PRODUCTION PROCESSES, AND FUNCTIONAL ELECTRONIC DEVICES USING SAME Kyoto University and Nippon Shokubai Co., LTD. 2011-02-24 US disclosed
EP-2233490-A1 NOVEL BORON COMPOUND, METHOD FOR PRODUCING THE SAME, AND FUNCTIONAL ELECTRONIC DEVICE USING THE SAME Kyoto University (JP) 2010-09-29 EP disclosed
EP-2233490-A1 NOVEL BORON COMPOUND, METHOD FOR PRODUCING THE SAME, AND FUNCTIONAL ELECTRONIC DEVICE USING THE SAME Kyoto University (JP) 2010-09-29 EP 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-20110046372-A1 NOVEL BORON COMPOUNDS, THEIR PRODUCTION PROCESSES, AND FUNCTIONAL ELECTRONIC DEVICES USING SAME ETFB, SLC40A1, SLC19A1 BACE1 3300/4885C1R 3636/4885PDE4A 4453/4885
US-20250066368-A1 DNA POLYMERASE THETA INHIBITOR AND USE THEREOF POLQ, POLB, POLM BACE1 147/4885C1R 4813/4885PDE4A 761/4885

“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.