Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5067914

Cc1cc2nc(-c3[nH]nc4c3CCNC4)[nH]c2cc1C.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPSE Q9Y251 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ ERAP1 Q9NZ08 1/20 0.35
▸ AMY1A P0DUB6 5/20 0.34
▸ GUSB P08236 4/20 0.34
▸ PARP1 P09874 1/20 0.33
▸ PARP2 Q9UGN5 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ METAP1 P53582 2/20 0.33
▸ METAP2 P50579 1/20 0.33
▸ CBFB Q13951 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL3457670 0.89 ATM (0.40) HPSENPC1RAB9AATMERAP1
Hydrochloric Acid SCHEMBL5067947 0.88 ATM (0.39) HPSENPC1RAB9AATMERAP1
SCHEMBL3456828 0.72 KDM4E (0.46) HSD17B10NPC1RAB9AMETAP1METAP2
SCHEMBL14031952 0.72 HPSE (0.41) HPSEHSD17B10NPC1RAB9AATM
SCHEMBL3455651 0.71 HPSE (0.39) HPSEHSD17B10NPC1RAB9AATM
Hydrochloric Acid SCHEMBL5067911 0.71 KDM4E (0.45) HSD17B10NPC1RAB9AMETAP1METAP2
SCHEMBL3457585 0.69 HPSE (0.39) HPSEHSD17B10NPC1RAB9AATM
SCHEMBL3456885 0.69 NPC1 (0.40) HPSEHSD17B10NPC1RAB9AATM
SCHEMBL3457136 0.69 MTHFD2 (0.41) HPSENPC1RAB9AATMERAP1
SCHEMBL3456715 0.69 ATM (0.38) HPSENPC1RAB9AATMERAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 — — US disclosed
US-7109340-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2006-09-19 — — US disclosed
US-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE AVENTIS PHARMA S.A. (FR) 2006-09-07 — — US disclosed
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2005-05-05 — — 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 (2 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-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE BRD4, TP53, HCCS HPSE 2551/4885HSD17B10 4005/4885NPC1 4105/4885
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use BRD4, TP53, HCCS HPSE 2706/4885HSD17B10 4281/4885NPC1 3940/4885

“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.