Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3609037

N#Cc1cc(-c2ccnc(Nc3ccc(C(=O)N4CCOCC4)cc3)c2)[nH]c1N1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.41
PRKD1 Q15139 2/20 0.40
PRKD2 Q9BZL6 2/20 0.40
RIPK1 Q13546 1/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
GPR52 Q9Y2T5 1/20 0.39
MAPK10 P53779 3/20 0.39
CCNT1 O60563 3/20 0.39
CDK9 P50750 3/20 0.39
TBK1 Q9UHD2 1/20 0.39
LRRK2 Q5S007 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
RAD52 P43351 1/20 0.38
UBE2N P61088 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TNIK Q9UKE5 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
MAPK13 O15264 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
SCHEMBL13408170 0.95 RIPK1 (0.44) TYK2PRKD1PRKD2RIPK1MAPK10
Trifluoroacetic Acid SCHEMBL3614134 0.87 IKBKB (0.41) PRKD1PRKD2MAPK10CCNT1CDK9
SCHEMBL14283339 0.83 RIPK1 (0.46) PRKD1PRKD2RIPK1MAPK10CCNT1
SCHEMBL13408179 0.82 MAPK10 (0.57) PRKD1PRKD2MAPK10CDK9TBK1
Trifluoroacetic Acid SCHEMBL3624358 0.82 KMT2A (0.42) PRKD1PRKD2CCNT1CDK9L3MBTL1
Hydrochloric Acid SCHEMBL3617209 0.82 MAPK10 (0.56) PRKD1PRKD2MAPK10CDK9TBK1
Trifluoroacetic Acid SCHEMBL3620664 0.82 CCNC (0.44) RIPK1ABL1BCRCDK9TBK1
SCHEMBL3609041 0.80 ABL1 (0.40) TYK2PRKD1PRKD2ABL1BCR
SCHEMBL3614593 0.79 MAPKAPK2 (0.59) TYK2PRKD1PRKD2RIPK1ABL1
SCHEMBL3614589 0.79 MAPKAPK2 (0.59) TYK2PRKD1PRKD2RIPK1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US claimed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP claimed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO claimed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 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 (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-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 TYK2 3815/4885PRKD1 3780/4885PRKD2 3907/4885

“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.