Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1967871

O=C(O)C(F)(F)F.O=C1CCC(=O)N1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 4/20 0.55
KDM1A O60341 4/20 0.33
KIF11 P52732 3/20 0.33
ITGB3 P05106 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA4 P13612 1/20 0.33
DDB1 Q16531 1/20 0.33
NPC1 O15118 1/20 0.31
MAPK13 O15264 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 1/20 0.31
GRM5 P41594 1/20 0.31
DPP8 Q6V1X1 1/20 0.30
CES1 P23141 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL30489011 0.91 CRBN (0.59) CRBNKDM1AKIF11ITGB3ITGB1
Trifluoroacetic Acid SCHEMBL28310891 0.91 CRBN (0.59) CRBNKDM1AKIF11ITGB3ITGB1
Succinimide SCHEMBL434236 0.81 CRBN (0.73) CRBNITGB3ITGB1ITGAVITGA4
Succinimide SCHEMBL6036901 0.81 CRBN (0.73) CRBNITGB3ITGB1ITGAVITGA4
Succinimide SCHEMBL6717091 0.81 CRBN (0.73) CRBNITGB3ITGB1ITGAVITGA4
Trifluoroacetic Acid SCHEMBL27673776 0.80 CRBN (0.55) CRBNKDM1A
Trifluoroacetic Acid SCHEMBL29657439 0.79 CRBN (0.33) CRBNITGB3ITGB1ITGAVITGA4
Trifluoroacetic Acid SCHEMBL30998099 0.79 CRBN (0.65) CRBNKDM1A
Succinimide SCHEMBL9729105 0.78 CRBN (0.69) CRBNITGB3ITGB1ITGAVITGA4
Succinimide SCHEMBL30109359 0.78 CRBN (0.69) CRBNITGB3ITGB1ITGAVITGA4

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111187284-A Preparation method of cefaclor 赵俊瑶 2020-05-22 CN claimed
CN-111057071-A Preparation method of cefalexin 刘思思 2020-04-24 CN claimed
US-RE49686-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-10 US disclosed
CN-107793431-B Preparation method of cephalothin acid 江西裕康医药有限公司 2021-08-24 CN disclosed
US-RE48334-E1 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-12-01 US disclosed
CN-111187284-A Preparation method of cefaclor 赵俊瑶 2020-05-22 CN disclosed
CN-111187284-A Preparation method of cefaclor 赵俊瑶 2020-05-22 CN disclosed
CN-111057071-A Preparation method of cefalexin 刘思思 2020-04-24 CN disclosed
CN-111057071-A Preparation method of cefalexin 刘思思 2020-04-24 CN disclosed
CN-107793431-A A kind of preparation method of the fragrant acid of cephalo thiophene 王龙 2018-03-13 CN disclosed
CN-104610280-B A kind of preparation method of cephalothin acid 浙江东邦药业有限公司 2017-04-05 CN disclosed
CN-104610280-A Preparation method of cephalotin acid ZHEJIANG EAST ASIA PHARMACEUTICAL CO LTD 2015-05-13 CN disclosed
EP-2336105-B9 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-09-17 EP disclosed
EP-2336105-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL (JP) 2014-02-12 EP disclosed
US-8592454-B2 Nitrogen-containing heterocyclic compound and use of same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-26 US disclosed
CN-102276576-B Benzamide compound and preparation method thereof UNIV NORTHWESTERN POLYTECHNIC 2013-08-14 CN disclosed
CN-102276576-B Benzamide compound and preparation method thereof UNIV NORTHWESTERN POLYTECHNIC 2013-08-14 CN disclosed
CN-102276576-A benzamide compound and preparation method thereof 2011-12-14 CN disclosed
US-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed
EP-2336105-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP 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-20110178060-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND USE OF SAME NTSR2, BDKRB1, AVPR1B CRBN 335/4885KDM1A 3365/4885KIF11 3876/4885

“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.