Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL975654

CC(C)[C@H](CO)Nc1nc(N2CCC(c3nc(-c4ccncc4)no3)CC2)nc2c1[S+]([O-])CC2.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.43
▸ LMNA P02545 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ EPHX2 P34913 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ GAA P10253 4/20 0.37
▸ HTT P42858 2/20 0.37
▸ CNR2 P34972 1/20 0.35
▸ DPP4 P27487 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP7 Q9UHL4 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34

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
SCHEMBL7712510 0.94 SMN1; SMN2 (0.44) SMN1; SMN2LMNATSHREPHX2KCNH2
SCHEMBL187438 0.94 SMN1; SMN2 (0.44) SMN1; SMN2LMNATSHREPHX2KCNH2
SCHEMBL975655 0.90 SMN1; SMN2 (0.42) SMN1; SMN2LMNATSHREPHX2KCNH2
SCHEMBL12921313 0.89 TUBB4A (0.40) SMN1; SMN2LMNATSHREPHX2KCNH2
SCHEMBL8054262 0.86 PPARA (0.42) SMN1; SMN2LMNATSHREPHX2KCNH2
Trifluoroacetic Acid SCHEMBL15808556 0.83 SLC2A1 (0.35) DPP4DPP8DPP7
Trifluoroacetic Acid SCHEMBL974255 0.82 SCN9A (0.42) SMN1; SMN2LMNATSHREPHX2KCNH2
SCHEMBL10266952 0.81 CCR5 (0.32) EPHX2
SCHEMBL373806 0.81 TP53 (0.32) SMN1; SMN2LMNAKDM4E
SCHEMBL17180853 0.80 SMN1; SMN2 (0.46) SMN1; SMN2LMNATSHREPHX2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8754073-B2 Substituted piperazino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-06-17 — — US disclosed
US-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 — — 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 (1 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-20110021501-A1 SUBSTITUTED PIPERAZINO-DIHYDROTHIENOPYRIMIDINES DPYD, P2RX1, P2RX5 SMN1; SMN2 338/4885LMNA 4790/4885TSHR 1555/4885

“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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