SCHEMBL22208481

SCHEMBL22208481

CCOc1cc(OC(F)(F)F)ccc1B(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
S1PR1 P21453 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CXCR2 P25025 2/20 0.38
POLB P06746 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
TSHR P16473 1/20 0.37
CXCR1 P25024 1/20 0.37
PDE2A O00408 1/20 0.37
GPR3 P46089 1/20 0.37
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36
TACR1 P25103 1/20 0.36
GRM7 Q14831 1/20 0.36
LMNA P02545 1/20 0.36
KCNB1 Q14721 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 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
SCHEMBL31697241 1.00 L3MBTL1 (0.44) L3MBTL1S1PR1KDM4ECXCR2POLB
SCHEMBL29951073 0.88 L3MBTL1 (0.44) L3MBTL1S1PR1POLBTSHRPDE2A
SCHEMBL29956388 0.88 L3MBTL1 (0.44) L3MBTL1KDM4EPOLBHRH2HRH1
SCHEMBL3139123 0.85 GPR3 (0.42) L3MBTL1CXCR2TSHRCXCR1PDE2A
SCHEMBL29952558 0.83 KDM4E (0.53) KDM4EPOLBTSHRNQO1
SCHEMBL3793494 0.83 KDM4E (0.53) KDM4EPOLBTSHRNQO1
SCHEMBL4048673 0.82 ENPP2 (0.44) GPR3HCRTR1
SCHEMBL29956187 0.82 ENPP2 (0.44) GPR3HCRTR1
SCHEMBL8940653 0.81 ALDH1A1 (0.49) L3MBTL1S1PR1KDM4EPOLBTSHR
SCHEMBL24994751 0.80 CA1 (0.44) KDM4ETSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441703-B2 Carboxamides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-10-14 US disclosed
US-20230062053-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2023-03-02 US disclosed
US-20230062053-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2023-03-02 US disclosed
WO-2020146682-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-07-16 WO disclosed
WO-2020146682-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-07-16 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-12441703-B2 Carboxamides as modulators of sodium channels TRPV1, SCN2A, SCN10A L3MBTL1 4341/4885S1PR1 1044/4885KDM4E 1582/4885
US-20230062053-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS TRPV1, SCN2A, SCN10A L3MBTL1 4341/4885S1PR1 1044/4885KDM4E 1582/4885

“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.