Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2099569

CN1CCN(c2ccc(-c3nc4ccc([N+](=O)[O-])cc4s3)cn2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
MET P08581 2/20 0.43
NPC1 O15118 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
APP P05067 3/20 0.42
MGLL Q99685 1/20 0.42
HRH4 Q9H3N8 1/20 0.41
DGAT1 O75907 1/20 0.41
SOAT1 P35610 1/20 0.41
KCNH2 Q12809 1/20 0.41
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40

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
SCHEMBL5104004 0.92 RAB9A (0.49) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL2099048 0.88 APP (0.45) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2099132 0.86 RAB9A (0.53) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2099129 0.86 RAB9A (0.53) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2055260 0.82 MAPT (0.50) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2099417 0.81 ALDH1A1 (0.56) RAB9AALDH1A1MAPTNPC1APOBEC3A
SCHEMBL2055257 0.80 NFKB1 (0.53) RAB9ASMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL5140575 0.80 RAB9A (0.44) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5140574 0.80 RAB9A (0.44) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2098484 0.80 TP53 (0.56) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1

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-8957215-B2 Heteroaryl substituted benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. (US) 2015-02-17 US disclosed
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles ASTRAZENECA AB (SE) 2012-08-16 US disclosed
US-8163928-B2 Heteroaryl substituted benzothiazoles ASTRAZENECA AB (SE) 2012-04-24 US disclosed
CN-101410393-A Novel heteroaryl substituted benzothiazoles ASTRAZENECA AB (SE) 2009-04-15 CN disclosed
US-20090028787-A1 Novel Heteroaryl Substituted Benzothiazoles NAVIDEA BIOPHARMACEUTICALS, INC. 2009-01-29 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 (2 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-20090028787-A1 Novel Heteroaryl Substituted Benzothiazoles APP, MAPT, PSEN1 RAB9A 2522/4885SMN1; SMN2 1164/4885MEN1 2676/4885
US-20120207679-A1 Novel Heteroaryl Substituted Benzothiazoles MAPT, APP, PSEN1 RAB9A 3260/4885SMN1; SMN2 1170/4885MEN1 2385/4885

“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.