Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3540222

COC(=O)c1cc(CNc2ccc(-c3ccc(OC)cn3)cc2)c(C)o1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 12/20 0.58
FFAR1 O14842 1/20 0.46
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL12991934 0.94 PTGER4 (0.62) PTGER4FFAR1TSHRKDM4EALDH1A1
SCHEMBL4687761 0.88 PTGER4 (0.74) PTGER4FFAR1
Hydrochloric Acid SCHEMBL3536482 0.87 PTGER4 (0.73) PTGER4FFAR1
SCHEMBL3534547 0.81 PTGER4 (0.82) PTGER4TSHRKDM4EALDH1A1HPGD
SCHEMBL3535977 0.79 PTGER4 (0.75) PTGER4TSHRKDM4EALDH1A1HPGD
SCHEMBL3532327 0.76 PTGER4 (0.81) PTGER4
SCHEMBL3535870 0.76 PTGER4 (0.65) PTGER4FFAR1KDM4EALDH1A1HPGD
SCHEMBL4125886 0.75 PTGER4 (0.52) PTGER4FFAR1CA1CA2
SCHEMBL3531275 0.75 PTGER4 (0.65) PTGER4TSHRKDM4EALDH1A1HPGD
SCHEMBL3535668 0.74 PTGER4 (1.00) PTGER4

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
US-7858644-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2010-12-28 US disclosed
US-20090143437-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2009-06-04 US disclosed
US-7528157-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-05-05 US disclosed
US-7507754-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-03-24 US disclosed
EP-1603893-B1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2008-05-21 EP disclosed
US-20080039502-A1 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2008-02-14 US disclosed
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK ACQUISITION LIMITED (GB) 2007-05-31 US disclosed
US-7196089-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2007-03-27 US disclosed
EP-1603893-A1 EP4 RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2005-12-14 EP disclosed
US-20040192767-A1 EP4 receptor antagonists ASTERAND UK ACQUISITION LIMITED (GB) 2004-09-30 US disclosed
WO-2004067524-A1 EP4 RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2004-08-12 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 (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-20090143437-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, NR4A2 PTGER4 1/4885FFAR1 268/4885CYP3A4 220/4885
US-20040192767-A1 EP4 receptor antagonists PTGER4, PTGER1, NR4A1 PTGER4 1/4885FFAR1 145/4885CYP3A4 157/4885
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, PTGER1 PTGER4 1/4885FFAR1 264/4885CYP3A4 219/4885
US-20080039502-A1 EP4 receptor antagonists PTGER4, NR4A1, PTGER1 PTGER4 1/4885FFAR1 269/4885CYP3A4 220/4885

“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.