Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL18498286

CC(C)(C)C(C(=O)O)N1C[C@H]2CN(Cc3ccccc3)C[C@H]2C1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRIN2B Q13224 6/20 0.44
▸ S1PR1 P21453 2/20 0.41
▸ S1PR5 Q9H228 2/20 0.41
▸ FUCA1 P04066 2/20 0.40
▸ PDK1 Q15118 1/20 0.39
▸ PDK2 Q15119 1/20 0.39
▸ PDK3 Q15120 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ GRK5 P34947 1/20 0.38
▸ CDK8 P49336 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL18498099 0.78 GRIN2B (0.58) GRIN2BS1PR1S1PR5FUCA1ALDH1A1
SCHEMBL19971639 0.73 GRIN2B (0.40) GRIN2BS1PR1S1PR5
SCHEMBL20008958 0.72 GRIN2B (0.51) GRIN2BFUCA1
SCHEMBL5242542 0.71 FUCA1 (0.64) GRIN2BS1PR1S1PR5FUCA1
SCHEMBL18498285 0.71 GRIN2B (0.49) GRIN2BS1PR1S1PR5FUCA1PDK1
Trifluoroacetic Acid SCHEMBL29977328 0.70 S1PR5 (0.48) GRIN2BS1PR1S1PR5FUCA1ALDH1A1
SCHEMBL19971618 0.69 GRIN2B (0.53) GRIN2BS1PR1S1PR5FUCA1GRK5
SCHEMBL25802690 0.69 MGLL (0.48) GRIN2BS1PR1S1PR5
SCHEMBL18517360 0.69 GRIN2B (0.52) GRIN2BS1PR1S1PR5FUCA1ALDH1A1
SCHEMBL9686795 0.69 OPRM1 (0.49) S1PR1S1PR5FUCA1ALDH1A1GRK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190092781-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-03-28 — — US disclosed
US-20190023716-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2019-01-24 — — US disclosed
US-20180237449-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2018-08-23 — — US disclosed
EP-3334729-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND THEIR USE AS METAP2 INHIBITORS Zafgen, Inc. (US) 2018-06-20 — — EP disclosed
US-9944613-B2 Fumagillol spirocyclic compounds and fused bicyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2018-04-17 — — US disclosed
US-20180079737-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2018-03-22 — — US disclosed
WO-2017027687-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND THEIR USE AS METAP2 INHIBITORS ZAFGEN, INC. (US) 2017-02-16 — — 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-20180079737-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP GRIN2B 1690/4885S1PR1 2867/4885S1PR5 2786/4885
US-20180237449-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP GRIN2B 1690/4885S1PR1 2867/4885S1PR5 2786/4885
US-20190092781-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP GRIN2B 1690/4885S1PR1 2867/4885S1PR5 2786/4885
US-20190023716-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, FOLH1, FAP GRIN2B 1690/4885S1PR1 2867/4885S1PR5 2786/4885

“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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