Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL18038261

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

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 15/20 0.71
▸ ROCK2 O75116 13/20 0.71
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52

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
SCHEMBL18038335 0.91 ROCK2 (0.72) ROCK1ROCK2
Trifluoroacetic Acid SCHEMBL18038237 0.87 ROCK2 (0.68) ROCK1ROCK2
Trifluoroacetic Acid SCHEMBL18038124 0.86 ROCK1 (0.89) ROCK1ROCK2
Trifluoroacetic Acid SCHEMBL18038151 0.84 ROCK1 (0.72) ROCK1ROCK2
Trifluoroacetic Acid SCHEMBL18038203 0.83 ROCK2 (0.85) ROCK1ROCK2
SCHEMBL18038217 0.83 ROCK1 (1.00) ROCK1ROCK2
Trifluoroacetic Acid SCHEMBL18038239 0.82 ROCK1 (0.66) ROCK1ROCK2NPC1RAB9A
Trifluoroacetic Acid SCHEMBL18038293 0.82 ROCK1 (0.64) ROCK1ROCK2
SCHEMBL18038184 0.82 ROCK1 (0.80) ROCK1ROCK2
Trifluoroacetic Acid SCHEMBL18038285 0.81 ROCK1 (0.63) 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 2/4885NPC1 1326/4885
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 2/4885NPC1 1326/4885

“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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