Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1609057

O=C(O)C(F)(F)F.O=C(O)[C@H]1CCNC1

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 4/20 0.59
SLC6A11 P48066 3/20 0.59
SLC6A13 Q9NSD5 3/20 0.59
TSHR P16473 2/20 0.59
LMNA P02545 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
GABRA5 P31644 3/20 0.56
GABRB2 P47870 3/20 0.56
GABRA1 P14867 2/20 0.56
GABRA4 P48169 2/20 0.56
GABRP O00591 1/20 0.56
GABRD O14764 1/20 0.56
GABRB1 P18505 1/20 0.56
GABRG2 P18507 1/20 0.56
GABRB3 P28472 1/20 0.56
GABRA3 P34903 1/20 0.56
GABRA2 P47869 1/20 0.56
GABRE P78334 1/20 0.56
PMP22 Q01453 1/20 0.56
GABRA6 Q16445 1/20 0.56

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 SCHEMBL13738318 1.00 SLC6A1 (0.59) SLC6A1SLC6A11SLC6A13TSHRLMNA
Trifluoroacetic Acid SCHEMBL13738487 1.00 SLC6A1 (0.59) SLC6A1SLC6A11SLC6A13TSHRLMNA
Nipecotic Acid SCHEMBL27873984 0.89 SLC6A1 (0.78) SLC6A1SLC6A11SLC6A13TSHRLMNA
Trifluoroacetic Acid SCHEMBL28312957 0.88 GABRA5 (0.45) SLC6A1SLC6A11SLC6A13TSHRLMNA
Isonipecotic Acid SCHEMBL29651431 0.88 TSHR (0.74) SLC6A1SLC6A11SLC6A13TSHRLMNA
Isonipecotic Acid SCHEMBL15533683 0.88 TSHR (0.74) SLC6A1SLC6A11SLC6A13TSHRLMNA
SCHEMBL825587 0.87
SCHEMBL825603 0.87
SCHEMBL444559 0.87
Hydrochloric Acid SCHEMBL2323610 0.85

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10064839-B2 Methods of treating liver diseases ZAFGEN, INC. (US) 2018-09-04 US disclosed
US-20180002307-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2018-01-04 US disclosed
US-20170326099-A1 METHODS OF TREATING LIVER DISEASES ZAFGEN, INC. 2017-11-16 US disclosed
US-9617237-B2 Partially saturated tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-04-11 US disclosed
US-9561209-B2 Methods of treating liver diseases ZAFGEN, INC. (US) 2017-02-07 US disclosed
US-20170001973-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN, INC. 2017-01-05 US disclosed
EP-2705030-B1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-07-27 EP disclosed
US-9290472-B2 Partially saturated tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2016-03-22 US disclosed
US-20160058731-A1 METHODS OF TREATING LIVER DISEASES ZAFGEN, INC. (US) 2016-03-03 US disclosed
EP-2916833-A1 METHODS OF TREATING LIVER DISEASES Zafgen, Inc. (US) 2015-09-16 EP disclosed
WO-2014071368-A1 METHODS OF TREATING LIVER DISEASES ZAFGEN, INC. (US) 2014-05-08 WO disclosed
WO-2012154676-A9 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC. (US) 2014-03-27 WO disclosed
US-20140088078-A1 Partially Saturated Tricyclic Compounds and Methods of Making and Using Same ZAFGEN, INC. (US) 2014-03-27 US disclosed
EP-2705030-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC. (US) 2014-03-12 EP disclosed
WO-2012154676-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-11-15 WO disclosed
US-20110086853-A1 Therapeutic Compounds BROWN WILLIAM 2011-04-14 US disclosed
US-7615642-B2 Therapeutic compounds ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management ASTRAZENECA AB (SE) 2007-10-18 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 (8 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-20170001973-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME DNPEP, CES2, AADAC SLC6A1 1525/4885SLC6A11 1661/4885SLC6A13 1721/4885
US-20110086853-A1 Therapeutic Compounds OPRL1, F12, F3 SLC6A1 444/4885SLC6A11 554/4885SLC6A13 954/4885
US-20170326099-A1 METHODS OF TREATING LIVER DISEASES ENPEP, GOT2, METAP2 SLC6A1 1203/4885SLC6A11 1423/4885SLC6A13 1532/4885
US-10064839-B2 Methods of treating liver diseases ENPEP, GOT2, METAP2 SLC6A1 1203/4885SLC6A11 1423/4885SLC6A13 1532/4885
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management OPRM1, OPRL1, OPRK1 SLC6A1 889/4885SLC6A11 1142/4885SLC6A13 1517/4885
US-20160058731-A1 METHODS OF TREATING LIVER DISEASES ENPEP, GOT2, METAP2 SLC6A1 1203/4885SLC6A11 1423/4885SLC6A13 1532/4885
US-20180002307-A1 PARTIALLY SATURATED TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME DNPEP, CES2, AADAC SLC6A1 1525/4885SLC6A11 1661/4885SLC6A13 1721/4885
US-20140088078-A1 Partially Saturated Tricyclic Compounds and Methods of Making and Using Same DNPEP, CES2, AADAC SLC6A1 1525/4885SLC6A11 1661/4885SLC6A13 1721/4885

“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.