SCHEMBL25788181

SCHEMBL25788181

CCCCCCCCOc1ccc(C(=O)NS(=O)(=O)C(F)(F)F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 2/20 0.55
▸ THRB P10828 2/20 0.55
▸ SMPD1 P17405 8/20 0.53
▸ PLA2G2D Q9UNK4 1/20 0.47
▸ PTPN1 P18031 1/20 0.47
▸ S1PR1 P21453 2/20 0.46
▸ S1PR3 Q99500 2/20 0.46
▸ S1PR4 O95977 1/20 0.46
▸ S1PR5 Q9H228 1/20 0.46
▸ S1PR2 O95136 1/20 0.46
▸ LPAR2 Q9HBW0 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
SCHEMBL25788188 0.88 THRA (0.54) THRATHRBSMPD1PLA2G2DPTPN1
SCHEMBL25788172 0.82 TP53 (0.56) —
SCHEMBL25788190 0.80 S1PR3 (0.47) SMPD1PLA2G2DS1PR3
SCHEMBL9440284 0.79 THRA (0.68) THRATHRBPLA2G2D
SCHEMBL5347089 0.79 THRA (0.68) THRATHRBPLA2G2D
SCHEMBL5358465 0.79 THRA (0.68) THRATHRBPLA2G2D
SCHEMBL9437150 0.79 THRA (0.68) THRATHRBPLA2G2D
SCHEMBL15731804 0.79 THRA (0.68) THRATHRBPLA2G2D
SCHEMBL9440043 0.79 THRA (0.68) THRATHRBPLA2G2D
SCHEMBL8646009 0.79 THRA (0.68) THRATHRBPLA2G2D

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-20230205083-A1 SALT COMPOUND, RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-06-29 — — US disclosed
US-20230205083-A1 SALT COMPOUND, RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-06-29 — — 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-20230205083-A1 SALT COMPOUND, RESIST COMPOSITION AND PATTERNING PROCESS SLC6A9, SLC6A5, REN THRA 4761/4885THRB 4707/4885SMPD1 2729/4885

“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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