SCHEMBL25933778

SCHEMBL25933778

O=C(O)c1ccc(C(O)C2CC(F)(F)C2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 1/20 0.40
RXRA P19793 4/20 0.39
RXRB P28702 2/20 0.39
SRD5A2 P31213 2/20 0.38
ANPEP P15144 1/20 0.38
CYP2D6 P10635 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
CA3 P07451 1/20 0.35
TYR P14679 1/20 0.35
DRD1 P21728 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 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
SCHEMBL24214225 0.87 RXRA (0.43) TSHRTP53KMT2ARXRARXRB
SCHEMBL25933779 0.81 MAPT (0.48) TSHRCA1CA2CA12CA9
SCHEMBL22558692 0.80 EPHX1 (0.44) TSHRCYP2D6
SCHEMBL11900299 0.80 TSHR (0.48) TSHRTP53KMT2ARXRASRD5A2
SCHEMBL31489916 0.79 HTR2A (0.45) CYP2D6
SCHEMBL11901020 0.77 DHODH (0.55) TSHRTP53KMT2ASRD5A2ANPEP
SCHEMBL11900278 0.77 DHODH (0.51) TSHRTP53KMT2ARXRASRD5A2
SCHEMBL24214076 0.72 TSHR (0.46) TSHRTP53KMT2ARXRARXRB
SCHEMBL26145010 0.71 TDP1 (0.35) KMT2A
SCHEMBL20768602 0.68 ANPEP (0.50) TSHRTP53KMT2ASRD5A2ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
WO-2022015977-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2022-01-20 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-20230250106-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 TSHR 4487/4885TP53 10/4885KMT2A 3772/4885

“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.