Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL14763245

CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 16/20 0.46
▸ MMP3 P08254 9/20 0.46
▸ MMP2 P08253 7/20 0.46
▸ MMP9 P14780 7/20 0.43
▸ FCER2 P06734 2/20 0.41
▸ MMP7 P09237 3/20 0.41
▸ MMP14 P50281 1/20 0.41
▸ MMP8 P22894 3/20 0.41

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
SCHEMBL17022868 0.95 MMP1 (0.47) MMP1MMP3MMP2MMP9FCER2
Trifluoroacetic Acid SCHEMBL13731716 0.92 ALDH1A1 (0.48) —
Trifluoroacetic Acid SCHEMBL13732528 0.89 ITGB3 (0.43) —
Trifluoroacetic Acid SCHEMBL13731181 0.89 ITGB3 (0.43) —
SCHEMBL20454197 0.88 MME (0.47) —
SCHEMBL16197554 0.88 MME (0.47) —
SCHEMBL15292153 0.88 MME (0.47) —
SCHEMBL18812052 0.88 MME (0.47) —
SCHEMBL16197553 0.88 MME (0.47) —
SCHEMBL27256763 0.88 MME (0.47) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160193359-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF SEATTLE GENETICS, INC. (US) 2016-07-07 — — US disclosed
US-20150246136-A1 NOVEL BINDER-DRUG CONJUGATES (ADCs) AND USE OF SAME SEATTLE GENETICS, INC. (US) 2015-09-03 — — US disclosed
US-20150148298-A1 N-CARBOXYALKYL-AURISTATIN AND USE THEREOF SEATTLE GENETICS, INC. (US) 2015-05-28 — — US disclosed
US-8992932-B2 Binder-drug conjugates (ADCs) and use thereof SEATTLE GENETICS, INC. (US) 2015-03-31 — — US disclosed
US-8987209-B2 N-carboxyalkyl-auristatin and the use thereof SEATTLE GENETICS, INC. (US) 2015-03-24 — — US disclosed
US-20150030618-A1 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF SEATTLE GENETICS, INC. (US) 2015-01-29 — — US disclosed
US-20150023989-A1 NEW ANTIBODY DRUG CONJUGATES (ADCS) AND THE USE THEREOF SEATTLE GENETICS, INC. 2015-01-22 — — US disclosed
US-20140127240-A1 Novel Binder-Drug Conjugates (ADCs) and Use of Same BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-05-08 — — US disclosed
US-20130261064-A1 N-CARBOXYALKYL-AURISTATIN AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 — — US disclosed
US-20130122024-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 — — US disclosed
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof Bayer Pharma AG (DE) 2013-04-18 — — US disclosed
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-14 — — 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 (10 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-20130122024-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF MDN1, EPCAM, VCAM1 MMP1 1403/4885MMP3 1568/4885MMP2 1029/4885
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 MMP1 2680/4885MMP3 2481/4885MMP2 814/4885
US-20160193359-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 MMP1 2680/4885MMP3 2481/4885MMP2 814/4885
US-20130261064-A1 N-CARBOXYALKYL-AURISTATIN AND THE USE THEREOF HDGF, HGF, HGFAC MMP1 1723/4885MMP3 867/4885MMP2 613/4885
US-20150148298-A1 N-CARBOXYALKYL-AURISTATIN AND USE THEREOF HDGF, HGFAC, HGF MMP1 1620/4885MMP3 946/4885MMP2 583/4885
US-20150023989-A1 NEW ANTIBODY DRUG CONJUGATES (ADCS) AND THE USE THEREOF FGFR2, FGFR1, FGFR3 MMP1 2690/4885MMP3 2315/4885MMP2 2141/4885
US-20140127240-A1 Novel Binder-Drug Conjugates (ADCs) and Use of Same DDR1, IGFBP6, KDR MMP1 1702/4885MMP3 3344/4885MMP2 1956/4885
US-20150246136-A1 NOVEL BINDER-DRUG CONJUGATES (ADCs) AND USE OF SAME DDR1, IGFBP6, KDR MMP1 1702/4885MMP3 3344/4885MMP2 1956/4885
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof CDK4, CDKL4, FLT4 MMP1 2680/4885MMP3 2481/4885MMP2 814/4885
US-20150030618-A1 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 MMP1 2711/4885MMP3 2438/4885MMP2 818/4885

“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.

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