SCHEMBL26110985

SCHEMBL26110985

N#Cc1cc2c(cc1F)OCCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.45
NPC1 O15118 6/20 0.42
RAB9A P51151 6/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
HSD17B10 Q99714 3/20 0.42
MEN1 O00255 3/20 0.42
PKM P14618 2/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
EGFR P00533 1/20 0.38
KDM1A O60341 1/20 0.37
AKR1B1 P15121 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
SCHEMBL9235864 0.84 NPC1 (0.44) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL31633231 0.78 MAPT (0.45) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL16858486 0.77 ALDH1A1 (0.42) TRPV4ALDH1A1KDM4EHSD17B10GAA
SCHEMBL30002488 0.77 ITGB2 (0.43) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL28892684 0.77 ITGB2 (0.43) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL31003097 0.76 AKR1B1 (0.39) TRPV4AKR1B1CYP11B1CYP11B2
SCHEMBL31003233 0.76 AKR1B1 (0.39) TRPV4AKR1B1CYP11B1CYP11B2
SCHEMBL15205964 0.76 MAOB (0.44) TRPV4NPC1RAB9AALDH1A1NPSR1
SCHEMBL1855065 0.76 NPC1 (0.41) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL28798289 0.75 MAPKAPK2 (0.49) NPC1RAB9AKMT2AALDH1A1KDM4E

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-20260028334-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER WMT AG (DE) 2026-01-29 US disclosed
EP-4504723-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER WMT AG (DE) 2025-02-12 EP disclosed
CN-118974040-A N- (3- (benzo [ B ] thiophen-2-amido) -phenyl) -2, 3-dihydrobenzo [ B ] [1,4] dioxin-6-amide derivatives and related compounds as lactic acid/ATP production inhibitors for the treatment of cancer 威马特股份公司 2024-11-15 CN disclosed
WO-2023194458-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER WMT AG (DE) 2023-10-12 WO disclosed
WO-2023194458-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER WMT AG (DE) 2023-10-12 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 (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-20260028334-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER LDHA, LDHB, SLC6A1 TRPV4 1948/4885NPC1 448/4885RAB9A 3731/4885

“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.