SCHEMBL26601786

SCHEMBL26601786

Cc1cc(C(C)(O)C(F)(F)F)c(C)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.38
PGK1 P00558 1/20 0.32
PGK2 P07205 1/20 0.32
KCNJ11 Q14654 1/20 0.31
HSD11B1 P28845 2/20 0.31
PTPN1 P18031 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 1/20 0.30
NOTUM Q6P988 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL26607218 0.84 AR (0.37) ARHSD11B1PDK1PDK2PDK3
SCHEMBL15831663 0.81 PGK1 (0.47) ARPGK1PGK2HSD11B1PDK1
SCHEMBL26607154 0.81 TSHR (0.36) ARNOTUMSMN1; SMN2
SCHEMBL26601697 0.80 PGK1 (0.31) PGK1PGK2
SCHEMBL15957626 0.80 SMN1; SMN2 (0.43) ARPGK1PGK2KCNJ11HSD11B1
SCHEMBL15957658 0.79 AR (0.44) ARPGK1PGK2HSD11B1PDK1
SCHEMBL17286707 0.78 ALOX15 (0.41) ARPGK1PGK2HSD11B1PDK1
SCHEMBL15957664 0.77 CYP3A4 (0.43) ARPGK1PGK2HSD11B1SMN1; SMN2
SCHEMBL16838070 0.76 PGK1 (0.42) ARPGK1PGK2HSD11B1PDK1
SCHEMBL15957692 0.74 AR (0.39) ARPGK1PGK2HSD11B1PDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388541-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-12-25 US disclosed
EP-4511114-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
EP-4511117-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN Vertex Pharmaceuticals Incorporated (US) 2025-02-26 EP disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 US disclosed
WO-2023205465-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
WO-2023205465-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
WO-2023205778-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 WO disclosed
WO-2023205778-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-26 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-20250388541-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN SCN1B, CLIC1, HCN1 AR 2675/4885PGK1 3201/4885PGK2 2936/4885
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 AR 2804/4885PGK1 1316/4885PGK2 784/4885

“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.