Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL29646249

CCCCCCCCOc1ccc(-c2nnc(C(C)(N)CO)s2)cc1C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 10/20 0.73
▸ S1PR4 O95977 6/20 0.73
▸ S1PR5 Q9H228 6/20 0.73
▸ THRA P10827 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ RXRA P19793 1/20 0.43
▸ RXRB P28702 1/20 0.43
▸ RXRG P48443 1/20 0.43
▸ PLA2G2D Q9UNK4 1/20 0.42
▸ S1PR3 Q99500 3/20 0.41
▸ SPHK2 Q9NRA0 2/20 0.41
▸ PTPN11 Q06124 2/20 0.40
▸ PTPN1 P18031 2/20 0.40
▸ PTPN6 P29350 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
SCHEMBL1172174 0.94 S1PR1 (0.78) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL2954054 0.94 S1PR1 (0.78) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL2955490 0.94 S1PR1 (0.78) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL2955337 0.94 S1PR1 (0.78) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL2955485 0.94 S1PR1 (0.78) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL2954058 0.94 S1PR1 (0.78) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL13237848 0.90 S1PR1 (0.75) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL3172869 0.89 S1PR1 (0.70) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL3172852 0.89 S1PR1 (0.70) S1PR1S1PR4S1PR5THRATHRB
SCHEMBL3177366 0.88 S1PR1 (0.69) S1PR1S1PR4S1PR5THRATHRB

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-20230107927-A1 METHODS OF TREATING IATROGENIC AUTOIMMUNE COLITIS FIRST WAVE BIO, INC. 2023-04-06 — — US claimed
EP-3723801-B9 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A S1P MODULATOR BIORA THERAPEUTICS INC (US) 2023-10-04 — — EP disclosed
EP-3723801-B1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A S1P MODULATOR BIORA THERAPEUTICS INC (US) 2023-06-07 — — EP disclosed
US-20230107927-A1 METHODS OF TREATING IATROGENIC AUTOIMMUNE COLITIS FIRST WAVE BIO, INC. 2023-04-06 — — US disclosed
US-20220135666-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A S1P MODULATOR GLAS USA LLC 2022-05-05 — — 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-20220135666-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH A S1P MODULATOR S1PR2, S1PR1, S1PR4 S1PR1 2/4885S1PR4 3/4885S1PR5 4/4885

“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.

Send feedback