SCHEMBL26807760

SCHEMBL26807760

Cn1cc(S(=O)(=O)Nc2nc(Oc3ccc(Cl)cc3)cc(Oc3ccc(N4CCNCC4)cc3)n2)cn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.48
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 1/20 0.40
▸ ADRB1 P08588 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ HTR3D Q70Z44 1/20 0.40
▸ HTR3C Q8WXA8 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ HTR6 P50406 4/20 0.39
▸ GUSB P08236 3/20 0.39
▸ CETP P11597 3/20 0.39
▸ NMT1 P30419 1/20 0.39
▸ CCR2 P41597 1/20 0.38
▸ PLA2G7 Q13093 1/20 0.38
▸ RIPK2 O43353 1/20 0.37
▸ ACVR1 Q04771 1/20 0.37
▸ NOD2 Q9HC29 1/20 0.37
▸ HTR2C P28335 1/20 0.37

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
SCHEMBL24309513 0.94 LTA4H (0.41) LTA4HHTR3EHTR3BADRB1HTR3A
SCHEMBL29567157 0.94 LTA4H (0.41) LTA4HHTR3EHTR3BADRB1HTR3A
SCHEMBL26807480 0.93 LTA4H (0.43) LTA4HHTR3EHTR3BADRB1HTR3A
SCHEMBL26807769 0.92 GUSB (0.43) LTA4HHTR3EHTR3BADRB1HTR3A
SCHEMBL26807780 0.92 LTA4H (0.47) LTA4HHTR6GUSBRIPK2ACVR1
SCHEMBL26807778 0.92 HTR3E (0.46) HTR3EHTR3BADRB1HTR3AHTR3D
SCHEMBL26807751 0.90 GUSB (0.41) LTA4HHTR6GUSBNMT1PLA2G7
SCHEMBL26807728 0.88 FLT3 (0.37) LTA4HHTR6GUSBRIPK2ACVR1
SCHEMBL26807757 0.88 GUSB (0.40) LTA4HHTR6GUSBNMT1PLA2G7
SCHEMBL26807773 0.87 RIPK2 (0.43) LTA4HHTR6GUSBRIPK2ACVR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — 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 (1 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B LTA4H 156/4885HTR3E 2661/4885HTR3B 2729/4885

“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.

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