Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL384702

CCC1NCc2cc(C(=O)O)ccc21.O=C(O)C(F)(F)F

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.38
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM6B O15054 3/20 0.34
KDM4C Q9H3R0 3/20 0.34
PLA2G2D Q9UNK4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.34
RORC P51449 1/20 0.34

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
Hydrochloric Acid SCHEMBL21462220 0.75 CA12 (0.46) ALDH1A1KDM4EPOLBALOX15
SCHEMBL29238410 0.75 ALDH1A1 (0.40) KDM1ATDP1ALDH1A1PLA2G2DKDM4E
SCHEMBL4564235 0.73 TDP1 (0.46) KDM1ATDP1ALDH1A1KDM4EPOLB
SCHEMBL4939233 0.73 ALDH1A1 (0.36) KDM1ATDP1ALDH1A1PLA2G2DKDM4E
SCHEMBL31233564 0.68 SRD5A2 (0.47) KDM1AALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL17957946 0.68 RARA (0.42) KDM1ATDP1ALDH1A1
Trifluoroacetic Acid SCHEMBL17957947 0.68 RARA (0.42) KDM1ATDP1ALDH1A1
SCHEMBL23112197 0.65 ADRA2A (0.33)
SCHEMBL8466120 0.64 KMT2A (0.47) KDM6BKDM4CKDM4EPOLB
Terephthalic Acid SCHEMBL8370036 0.64 TSHR (0.67) ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914719-B2 Hydroxybenzamide derivatives and their use as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2018-03-13 US disclosed
EP-2073804-B1 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THE TREATMENT OF PAIN ASTEX THERAPEUTICS LTD (GB) 2017-09-13 EP disclosed
US-9730912-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-15 US disclosed
US-20150045362-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2015-02-12 US disclosed
US-8916552-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-12-23 US disclosed
US-8883790-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-11-11 US disclosed
EP-2332909-B1 HYDROXYBENZAMIDE DERIVATIVES AND THEIR USE AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LTD (GB) 2014-10-15 EP disclosed
US-8816087-B2 Hydroxybenzamide derivatives and their use as inhibitors of Hsp90 ASTEX THERAPEUTICS LIMITED (GB) 2014-08-26 US disclosed
US-8779132-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2014-07-15 US disclosed
US-8530469-B2 Therapeutic combinations of hydroxybenzamide derivatives as inhibitors of HSP90 ASTEX THERAPEUTICS LTD. (GB) 2013-09-10 US disclosed
EP-2073802-A1 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-07-01 EP disclosed
EP-2073804-A2 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THERAPY Astex Therapeutics Limited (GB) 2009-07-01 EP disclosed
WO-2008044029-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
WO-2008044045-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
WO-2008044041-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
WO-2008044027-A2 PHARMACEUTICAL COMPOUNDS HAVING HSP90 INHIBITORY OR MODULATING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
WO-2008044054-A2 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
US-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-29 US disclosed
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma ASTEX THERAPEUTICS, LTD. (GB) 2007-11-08 US disclosed
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2007-11-08 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 (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-20070276026-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 KDM1A 2641/4885TDP1 2575/4885ALDH1A1 1756/4885
US-20070259886-A1 (2,4-Dihydroxy-5-isopropyl-phenyl)-[5-(2-dimethylamino-ethoxy)-1,3-dihydro-isoindol-2-yl]-methanone; inhibits or modulates activity of heat shock protein Hsp90; useful for treating cancer, particularly hematopoietic tumors of lymphoid or myeloid lineage, prostate, lung, breast cancer, melanoma HSP90AB2P, HSP90AA1, HSP90AB1 KDM1A 3323/4885TDP1 2489/4885ALDH1A1 377/4885
US-20070259871-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 KDM1A 2671/4885TDP1 2607/4885ALDH1A1 1740/4885
US-20150045362-A1 Hydroxybenzamide Derivatives And Their Use As Inhibitors Of HSP90 HSP90AB1, HSP90AB2P, HSP90AA1 KDM1A 2671/4885TDP1 2607/4885ALDH1A1 1740/4885

“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.