SCHEMBL20357323

SCHEMBL20357323

COc1ccc(S(F)(F)(F)(F)F)cc1NC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.48
▸ KMT2A Q03164 10/20 0.47
▸ MEN1 O00255 8/20 0.47
▸ MAPT P10636 4/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ GAA P10253 4/20 0.43
▸ TP53 P04637 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CREBBP Q92793 1/20 0.42
▸ LMNA P02545 1/20 0.41

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
SCHEMBL20357366 0.80 HDAC1 (0.40) TSHRALDH1A1GAAHDAC1HDAC8
SCHEMBL862532 0.78 TSHR (0.70) TSHRKMT2AMEN1MAPTALDH1A1
SCHEMBL18615438 0.77 KMT2A (0.42) TSHRKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL6005341 0.77 GAA (0.69) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL20357330 0.76 PDE4B (0.37) —
SCHEMBL18615449 0.76 MEN1 (0.69) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL15123097 0.76 ALDH1A1 (0.49) MAPTALDH1A1MAPK1NPSR1LMNA
SCHEMBL4317042 0.76 KMT2A (0.73) TSHRKMT2AMEN1MAPTALDH1A1
SCHEMBL14721362 0.76 ALDH1A1 (0.52) TSHRKMT2AMEN1MAPTALDH1A1
SCHEMBL20357363 0.75 MAPT (0.58) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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
EP-3345893-B1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES (JP) 2019-10-30 — — EP disclosed
US-10280145-B2 Urea derivative and use therefor TORAY INDUSTRIES, INC. (JP) 2019-05-07 — — US disclosed
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES, INC. (JP) 2018-08-23 — — US disclosed
EP-3345893-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 — — EP 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 (2 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-10280145-B2 Urea derivative and use therefor UTS2R, DDR1, WEE1 TSHR 128/4885KMT2A 3875/4885MEN1 603/4885
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR UTS2R, DDR1, WEE1 TSHR 128/4885KMT2A 3875/4885MEN1 603/4885

“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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