SCHEMBL26530287

SCHEMBL26530287

O=S(=O)(Nc1ncccc1O)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.64
▸ CCR9 P51686 2/20 0.51
▸ TLR7 Q9NYK1 1/20 0.50
▸ SLC40A1 Q9NP59 5/20 0.49
▸ FFAR4 Q5NUL3 2/20 0.49
▸ DHODH Q02127 1/20 0.48
▸ PTGDR2 Q9Y5Y4 1/20 0.46
▸ TUBB4A P04350 1/20 0.46
▸ TUBB P07437 1/20 0.46
▸ TUBA3C P0DPH7 1/20 0.46
▸ TUBA1B P68363 1/20 0.46
▸ TUBA4A P68366 1/20 0.46
▸ TUBB4B P68371 1/20 0.46
▸ TUBB3 Q13509 1/20 0.46
▸ TUBB2A Q13885 1/20 0.46
▸ TUBB8 Q3ZCM7 1/20 0.46
▸ TUBA3E Q6PEY2 1/20 0.46
▸ TUBA1A Q71U36 1/20 0.46
▸ TUBA1C Q9BQE3 1/20 0.46
▸ TUBB6 Q9BUF5 1/20 0.46

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
SCHEMBL26536628 0.84 FFAR4 (0.51) TSHRCCR9SLC40A1FFAR4PTGDR2
SCHEMBL16235358 0.79 TSHR (0.63) TSHRSLC40A1RAB9A
SCHEMBL16235349 0.78 TSHR (1.00) TSHRCCR9SLC40A1RAB9A
SCHEMBL16235273 0.78 TSHR (0.74) TSHRSLC40A1RAB9A
SCHEMBL3291271 0.78 PPIA (0.52) CCR9SLC40A1PTGDR2
SCHEMBL14459525 0.77 POLB (0.70) FFAR4
SCHEMBL7574025 0.75 FFAR4 (0.56) CCR9FFAR4HDAC1HDAC8
SCHEMBL16235227 0.74 CCR9 (0.54) CCR9SLC40A1FFAR4HDAC1HDAC8
SCHEMBL16235606 0.74 SLC40A1 (0.61) TSHRTLR7SLC40A1
SCHEMBL18031172 0.72 HDAC1 (0.63) FFAR4HDAC1HDAC8

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 TSHR 2302/4885CCR9 2746/4885TLR7 1995/4885

“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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