Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17969436

Cc1nc(-c2nc3ccc(-c4cncc(S(C)(=O)=O)c4)cc3o2)[nH]c1C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 4/20 0.40
▸ PIK3CG P48736 4/20 0.40
▸ PIK3CB P42338 3/20 0.40
▸ PIK3CD O00329 3/20 0.40
▸ PI4KA P42356 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ MET P08581 6/20 0.38
▸ FGFR1 P11362 1/20 0.36
▸ FGFR2 P21802 1/20 0.36
▸ FGFR3 P22607 1/20 0.36
▸ PIK3C3 Q8NEB9 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ GPR119 Q8TDV5 1/20 0.35
▸ PRKDC P78527 1/20 0.35
▸ ATR Q13535 1/20 0.35
▸ ATRIP Q8WXE1 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.34
▸ PRMT5 O14744 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
SCHEMBL17969344 0.92 PIK3CG (0.46) PIK3CAPIK3CGPIK3CBPIK3CDPI4KA
Trifluoroacetic Acid SCHEMBL17969433 0.85 MET (0.37) PIK3CAMETMAPTLMNATP53
Trifluoroacetic Acid SCHEMBL17969429 0.84 CYP11B2 (0.48) PIK3CAPIK3CBMETMAPTTP53
Trifluoroacetic Acid SCHEMBL29675320 0.79 PIK3C3 (0.47) PIK3CAPIK3CGPIK3CBPIK3CDPI4KA
Trifluoroacetic Acid SCHEMBL19065726 0.79 PIK3C3 (0.47) PIK3CAPIK3CGPIK3CBPIK3CDPI4KA
SCHEMBL17969434 0.78 CYP11B2 (0.50) PIK3CAPIK3CBMETMAPTTP53
SCHEMBL17969380 0.78 PDPK1 (0.47) PIK3CAPIK3CGPIK3CBPIK3CDPI4KA
Trifluoroacetic Acid SCHEMBL17969396 0.77 PIK3CA (0.42) PIK3CAPIK3CGPIK3CBPIK3CDPI4KA
Trifluoroacetic Acid SCHEMBL17969423 0.76 CYP2C9 (0.40) PIK3CGPIK3CDMETPIK3C3MAPT
Trifluoroacetic Acid SCHEMBL17969346 0.76 MET (0.38) PIK3CAMETMAPTLMNATP53

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 PIK3CA 8/4885PIK3CG 7/4885PIK3CB 10/4885
US-10596184-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors PIK3R5, PIK3R1, PIK3R3 PIK3CA 8/4885PIK3CG 7/4885PIK3CB 10/4885
US-20160229843-A1 AZA-HETEROARYL COMPOUNDS AS PI3K-GAMMA INHIBITORS PIK3R5, PIK3R1, PIK3R3 PIK3CA 8/4885PIK3CG 7/4885PIK3CB 10/4885
US-10022387-B2 Aza-heteroaryl compounds as PI3K-gamma inhibitors PIK3R5, PIK3R1, PIK3R3 PIK3CA 8/4885PIK3CG 7/4885PIK3CB 10/4885

“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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