Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL20587463

C=C(F)CNc1ccc(-c2nnc(-c3ccc4c(c3)CCC(=O)N4)o2)cc1C#N.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.39
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ DBF4 Q9UBU7 1/20 0.39
▸ KIF11 P52732 4/20 0.39
▸ MAP3K8 P41279 1/20 0.36
▸ CTSC P53634 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ DPP4 P27487 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 2/20 0.33
▸ PDE3B Q13370 2/20 0.33
▸ PDE3A Q14432 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ TBXAS1 P24557 1/20 0.33
▸ MAP4K1 Q92918 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL23558562 0.94 CDC7 (0.41) CDC7CCNE1CDK2DBF4KIF11
SCHEMBL23523994 0.83 S1PR1 (0.39) KIF11KCNH2
SCHEMBL23524015 0.82 CDC7 (0.42) CDC7CCNE1CDK2DBF4KIF11
SCHEMBL23524329 0.81 CDK2 (0.41) CDC7CCNE1CDK2DBF4KIF11
SCHEMBL23524126 0.80 CDC7 (0.42) CDC7CCNE1CDK2DBF4KIF11
SCHEMBL23069701 0.79 CDK2 (0.40) CDC7CCNE1CDK2DBF4KIF11
SCHEMBL23523765 0.76 MAPT (0.40) CDC7CCNE1CDK2DBF4KIF11
SCHEMBL30355553 0.76 MAPT (0.40) CDC7CCNE1CDK2DBF4KIF11
SCHEMBL23524102 0.74 SYK (0.41) KIF11KCNH2S1PR5
SCHEMBL30355475 0.74 SYK (0.41) KIF11KCNH2S1PR5

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 — — US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 — — US disclosed
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. 2023-04-13 — — US disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 — — US disclosed
EP-3638235-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME Trevena, Inc. (US) 2020-04-22 — — EP disclosed
WO-2018231745-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. (US) 2018-12-20 — — 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 (4 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 CDC7 3341/4885CCNE1 4355/4885CDK2 3639/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 CDC7 4702/4885CCNE1 4795/4885CDK2 4720/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CDC7 3341/4885CCNE1 4355/4885CDK2 3639/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 CDC7 3341/4885CCNE1 4355/4885CDK2 3639/4885

“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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