Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL18038124

CC(C)NC(=O)COc1cccc(-c2nnc(Nc3ccc4[nH]ncc4c3)s2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 15/20 0.89
▸ ROCK2 O75116 17/20 0.74
▸ CLK2 P49760 1/20 0.61
▸ BLK P51451 1/20 0.61
▸ CSNK2A1 P68400 1/20 0.61
▸ STK3 Q13188 1/20 0.61
▸ DYRK1A Q13627 1/20 0.61
▸ AURKB Q96GD4 1/20 0.61
▸ CLK4 Q9HAZ1 1/20 0.61
▸ STK17A Q9UEE5 1/20 0.61

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
SCHEMBL18056386 0.94 ROCK1 (1.00) ROCK1ROCK2CLK2BLKCSNK2A1
Trifluoroacetic Acid SCHEMBL18038261 0.86 ROCK1 (0.71) ROCK1ROCK2
SCHEMBL18038217 0.85 ROCK1 (1.00) ROCK1ROCK2
SCHEMBL18038381 0.85 ROCK1 (0.81) ROCK1ROCK2CLK2BLKCSNK2A1
Belumosudil SCHEMBL878258 0.81 ROCK2 (0.91) ROCK1ROCK2CLK2BLKCSNK2A1
Trifluoroacetic Acid SCHEMBL18038237 0.81 ROCK2 (0.68) ROCK1ROCK2
SCHEMBL17040955 0.79 ROCK2 (0.78) ROCK1ROCK2CLK2BLKCSNK2A1
Trifluoroacetic Acid SCHEMBL18038203 0.79 ROCK2 (0.85) ROCK1ROCK2
SCHEMBL24933400 0.79 ROCK2 (0.75) ROCK1ROCK2CLK2BLKCSNK2A1
Trifluoroacetic Acid SCHEMBL18038151 0.79 ROCK1 (0.72) ROCK1ROCK2

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
US-10112935-B2 Indazolyl thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease LYCERA CORPORATION (US) 2018-10-30 — — US disclosed
US-20180093978-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2018-04-05 — — US disclosed
EP-3262041-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE Lycera Corporation (US) 2018-01-03 — — EP disclosed
WO-2016138335-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE LYCERA CORPORATION (US) 2016-09-01 — — WO 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-10112935-B2 Indazolyl thiadiazolamines and related compounds for inhibition of Rho-associated protein kinase and the treatment of disease ROCK1, ROCK2, CIT ROCK1 1/4885ROCK2 2/4885CLK2 679/4885
US-20180093978-A1 INDAZOLYL THIADIAZOLAMINES AND RELATED COMPOUNDS FOR INHIBITION OF RHO-ASSOCIATED PROTEIN KINASE AND THE TREATMENT OF DISEASE ROCK1, ROCK2, CIT ROCK1 1/4885ROCK2 2/4885CLK2 679/4885

“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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