Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1689684

O=C(O)C(F)(F)F.O=C(c1ccnc(Cl)c1)N1CC2(CCNCC2)c2ccccc21

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NOTUM Q6P988 2/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
AKT1 P31749 3/20 0.38
P2RY1 P47900 1/20 0.38
PDE4B Q07343 3/20 0.36
CYP2D6 P10635 1/20 0.36
RAD52 P43351 1/20 0.35
UBE2N P61088 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL10253494 0.93 NOTUM (0.44) HDAC1HDAC6NOTUMROCK2ROCK1
SCHEMBL1689732 0.82 NOTUM (0.51) NOTUMAKT1CYP2D6
SCHEMBL1998171 0.82 GABRD (0.35) AKT1
Hydrochloric Acid SCHEMBL2351254 0.82 AKT1 (0.42) NOTUMAKT1PDE4BCYP2D6
SCHEMBL1689686 0.81 HDAC1 (0.41) HDAC1HDAC6NOTUMCYP2D6
SCHEMBL19444822 0.81 GABRD (0.39) NOTUMPDE4B
SCHEMBL1993910 0.80 KCNH2 (0.36) AKT1
SCHEMBL14366457 0.78 HDAC1 (0.57) HDAC1HDAC6NOTUMROCK2ROCK1
SCHEMBL1997435 0.77 PROKR1 (0.40) PDE4B
SCHEMBL14675951 0.77 PDE4B (0.36) NOTUMAKT1PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515969-B2 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LTD (GB) 2017-10-11 EP disclosed
US-9686990-B2 Spiroindolinepiperidine derivatives SYNGENTA PARTICIPATIONS AG (CH) 2017-06-27 US disclosed
US-20160007608-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LIMITED (GB) 2016-01-14 US disclosed
US-9174987-B2 Spiroindolinepiperidine derivatives SYNGENTA LIMITED (DE) 2015-11-03 US disclosed
EP-1880996-B1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LTD (GB) 2014-12-24 EP disclosed
US-20120010220-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA CROP PROTECTION LLC (US) 2012-01-12 US disclosed
EP-1515969-B1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LTD (GB) 2010-08-25 EP disclosed
EP-1880996-A1 Spiroindolinepiperidine derivatives Syngenta Limited (GB) 2008-01-23 EP disclosed
US-20060106045-A1 Spiroindolinepiperidine derivatives SYNGENTA PARTICIPATIONS AG (CH) 2006-05-18 US disclosed
EP-1515969-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES Syngenta Limited (GB) 2005-03-23 EP disclosed
WO-2003106457-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES SYNGENTA LIMITED (GB) 2003-12-24 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 (3 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-20120010220-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES RECQL, OPRD1, SKP1 HDAC1 620/4885HDAC6 117/4885NOTUM 3004/4885
US-20060106045-A1 Spiroindolinepiperidine derivatives RECQL, OPRD1, NCAPD3 HDAC1 637/4885HDAC6 102/4885NOTUM 3120/4885
US-20160007608-A1 SPIROINDOLINEPIPERIDINE DERIVATIVES RECQL, OPRD1, SKP1 HDAC1 620/4885HDAC6 117/4885NOTUM 3004/4885

“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.