Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6731864

O=C(Nc1ccc(F)cc1F)N(CCc1ccccc1)C1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 4/20 0.59
▸ PPARA Q07869 4/20 0.59
▸ PPARD Q03181 2/20 0.59
▸ DCUN1D1 Q96GG9 4/20 0.49
▸ RAB9A P51151 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ C5AR1 P21730 1/20 0.43
▸ TACR1 P25103 1/20 0.41
▸ UBE2M P61081 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 2/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ ULK1 O75385 1/20 0.40

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
SCHEMBL10447010 0.81 PPARG (0.56) PPARGPPARAPPARDDCUN1D1RAB9A
SCHEMBL9259746 0.79 PPARG (0.66) PPARGPPARAPPARDDCUN1D1RAB9A
SCHEMBL1448948 0.79 PPARG (0.49) PPARGPPARAPPARDDCUN1D1UBE2M
Hydrochloric Acid SCHEMBL841464 0.78 PPARG (0.49) PPARGPPARAPPARDDCUN1D1UBE2M
SCHEMBL6717127 0.76 CCR5 (0.57) PPARGPPARAPPARDDCUN1D1UBE2M
Trifluoroacetic Acid SCHEMBL6703522 0.76 ACKR3 (0.42) PPARGPPARAPPARDDCUN1D1RAB9A
SCHEMBL6730569 0.74 PPARG (0.54) PPARGPPARAPPARDDCUN1D1RAB9A
SCHEMBL6041186 0.74 PPARG (0.47) PPARGPPARAPPARDRAB9APOLB
SCHEMBL9260551 0.74 PPARG (0.67) PPARGPPARAPPARDRAB9APOLB
SCHEMBL9270701 0.72 UBE2M (0.53) PPARGPPARAPPARDDCUN1D1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040006081-A1 Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity ASTRAZENECA AB (SE) 2004-01-08 — — US disclosed
EP-1289957-A1 PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2003-03-12 — — EP disclosed
WO-2001087839-A1 PHARMACEUTICALLY ACTIVE PIPERIDINE DERIVATIVES, IN PARTICULAR AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2001-11-22 — — WO 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-20040006081-A1 Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity CCR5, CCR2, CCR1 PPARG 257/4885PPARA 284/4885PPARD 155/4885

“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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