SCHEMBL26530285

SCHEMBL26530285

O=S(=O)(Nc1cnccn1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 2/20 0.51
▸ CCR9 P51686 3/20 0.49
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SLC22A12 Q96S37 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ GSK3B P49841 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SLC40A1 Q9NP59 2/20 0.46
▸ PTGDR2 Q9Y5Y4 1/20 0.45
▸ SCN9A Q15858 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ FBP1 P09467 1/20 0.44

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
SCHEMBL14459525 0.82 POLB (0.70) FFAR4POLBKDM4ELMNAALDH1A1
SCHEMBL152522 0.77 SMN1; SMN2 (0.65) RAB9AKDM4ELMNAALDH1A1
SCHEMBL15880397 0.77 SMN1; SMN2 (0.56) FFAR4NPC1RAB9APOLBKDM4E
SCHEMBL16235227 0.76 CCR9 (0.54) FFAR4CCR9SLC40A1
SCHEMBL1094138 0.76 POLB (0.55) POLBKDM4ELMNAALDH1A1
SCHEMBL26536628 0.76 FFAR4 (0.51) FFAR4CCR9SLC40A1PTGDR2FBP1
SCHEMBL28409808 0.76 SMN1; SMN2 (0.63) RAB9AKDM4ELMNAALDH1A1
SCHEMBL26530281 0.73 SCN3A (0.71) KDM4ELMNASCN9AALDH1A1
SCHEMBL2447504 0.72 FFAR4 (0.60) FFAR4L3MBTL1LMNAFBP1
SCHEMBL6292016 0.72 SLC40A1 (0.55) SLC40A1

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-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 — — US disclosed
US-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-10-12 — — 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-20230322715-A1 BROAD SPECTRUM ANTI-CANCER COMPOUNDS YTHDF1, YTHDF3, YTHDF2 FFAR4 2391/4885CCR9 2746/4885NPC1 2308/4885

“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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