Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17969433

CCS(=O)(=O)Nc1cncc(-c2ccc3nc(-c4nc(C)c(C)[nH]4)oc3c2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 6/20 0.37
▸ MAPT P10636 4/20 0.35
▸ TP53 P04637 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PTPN5 P54829 1/20 0.34
▸ PIK3CA P42336 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ EGFR P00533 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL17969438 0.93 PTPN5 (0.39) MAPTTP53LMNANPC1RAB9A
Trifluoroacetic Acid SCHEMBL17969346 0.91 MET (0.38) METMAPTTP53LMNANPC1
Trifluoroacetic Acid SCHEMBL17969436 0.85 PIK3CA (0.40) METMAPTTP53LMNAPIK3CA
Trifluoroacetic Acid SCHEMBL17969396 0.84 PIK3CA (0.42) PIK3CAEGFRMTOR
SCHEMBL17969409 0.82 PTPN5 (0.39) MAPTTP53LMNANPC1RAB9A
Trifluoroacetic Acid SCHEMBL17969426 0.80 MAPT (0.38) METMAPTTP53LMNANPC1
Trifluoroacetic Acid SCHEMBL17969429 0.80 CYP11B2 (0.48) METMAPTTP53NPC1RAB9A
SCHEMBL17969417 0.79 CYP1A2 (0.42) MAPTTP53LMNANPC1RAB9A
SCHEMBL17969403 0.77 ROCK2 (0.40) METMAPTTP53LMNANPC1
SCHEMBL17969344 0.76 PIK3CG (0.46) MAPTTP53LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10596184-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2020-03-24 — — US disclosed
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2018-07-17 — — US disclosed
US-20170232016-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2017-08-17 — — US disclosed
US-9586949-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors INCYTE CORPORATION (US) 2017-03-07 — — US disclosed
US-20160229843-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS INCYTE CORPORATION 2016-08-11 — — US 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-20170232016-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3R5, PIK3R1, PIK3R3 MET 2619/4885MAPT 4548/4885TP53 967/4885
US-10596184-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors PIK3R5, PIK3R1, PIK3R3 MET 2619/4885MAPT 4548/4885TP53 967/4885
US-20160229843-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3R5, PIK3R1, PIK3R3 MET 2619/4885MAPT 4548/4885TP53 967/4885
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors PIK3R5, PIK3R1, PIK3R3 MET 2619/4885MAPT 4548/4885TP53 967/4885

“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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