SCHEMBL22246830

SCHEMBL22246830

O=C(Nc1c[nH]c2cc(F)c(F)cc12)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 4/20 0.50
▸ STING1 Q86WV6 1/20 0.49
▸ PARP1 P09874 1/20 0.48
▸ ESR1 P03372 1/20 0.47
▸ AAK1 Q2M2I8 1/20 0.47
▸ TRPV1 Q8NER1 3/20 0.46
▸ RXFP1 Q9HBX9 2/20 0.45
▸ MAPT P10636 2/20 0.44
▸ IGF1R P08069 1/20 0.44
▸ MET P08581 1/20 0.44
▸ SRC P12931 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ RORC P51449 1/20 0.42

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
SCHEMBL22246724 0.88 PTGS1 (0.57) PTGS1ESR1RXFP1MAPTKMT2A
SCHEMBL22246769 0.87 DHPS (0.43) STING1AAK1SRCKMT2AMEN1
SCHEMBL22246677 0.86 STING1 (0.51) PTGS1STING1PARP1ESR1AAK1
SCHEMBL24214219 0.85 STING1 (0.51) STING1TRPV1NPC1RAB9A
SCHEMBL30526943 0.85 STING1 (0.51) STING1TRPV1NPC1RAB9A
SCHEMBL22246700 0.85 KCNK2 (0.53) STING1TRPV1NPC1LMNARAB9A
SCHEMBL23167140 0.85 STING1 (0.56) STING1ESR1MAPTKMT2AMEN1
SCHEMBL24214130 0.85 SMN1; SMN2 (0.44) AAK1TRPV1MAPTKMT2AMEN1
SCHEMBL24214220 0.83 LIPE (0.57) NPC1LMNARAB9A
SCHEMBL30526923 0.83 LIPE (0.57) NPC1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230106899-A1 METHODS OF TREATING CANCER NOVARTIS PHARMA AG (CH) 2023-04-06 — — US disclosed
WO-2022140397-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2022-06-30 — — WO disclosed
WO-2022140403-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2022-06-30 — — WO disclosed
WO-2022140410-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2022-06-30 — — WO disclosed
WO-2022140387-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2022-06-30 — — WO disclosed
WO-2020257621-A1 METHODS OF TREATING CANCER IFM DUE, INC. (US) 2020-12-24 — — WO disclosed
WO-2020150417-A2 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-07-23 — — 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-20230106899-A1 METHODS OF TREATING CANCER STING1, CGAS, TBK1 PTGS1 3104/4885STING1 1/4885PARP1 644/4885

“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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