SCHEMBL20357366

SCHEMBL20357366

Cc1ccc(S(F)(F)(F)(F)F)cc1NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ AKR1C3 P42330 4/20 0.38
▸ AKR1C2 P52895 4/20 0.38
▸ PTGS1 P23219 2/20 0.38
▸ PTGS2 P35354 2/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.38
▸ BRD4 O60885 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36

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
SCHEMBL20357323 0.80 TSHR (0.48) HDAC1HDAC8HDAC6GAANPSR1
SCHEMBL2348838 0.76 PTGS2 (0.44) AKR1C3AKR1C2PTGS1PTGS2TAS2R14
SCHEMBL7651532 0.75 GAA (0.60) HDAC1HDAC8HDAC6BRD4GAA
SCHEMBL4286209 0.73 TSHR (0.55) HDAC1HDAC8HDAC6BRD4POLB
SCHEMBL378893 0.73 MAPT (0.55) HDAC1HDAC8HDAC6POLBNPSR1
SCHEMBL30050717 0.73 MAPT (0.55) HDAC1HDAC8HDAC6POLBNPSR1
SCHEMBL11289487 0.72 MAPT (0.51) HDAC1HDAC8HDAC6BRD4POLB
Hydrochloric Acid SCHEMBL11406931 0.72 MAPT (0.53) HDAC1HDAC8HDAC6POLBNPSR1
SCHEMBL22749629 0.72 ALDH1A1 (0.51) HDAC1HDAC8HDAC6GAANPSR1
SCHEMBL1068813 0.72 GAA (0.65) POLBGAALMNAALDH1A1TSHR

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 HDAC1 580/4885HDAC8 528/4885HDAC6 1875/4885
US-20180237398-A1 UREA DERIVATIVE AND USE THEREFOR UTS2R, DDR1, WEE1 HDAC1 580/4885HDAC8 528/4885HDAC6 1875/4885

“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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