Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4223931

CCN(CC)CCOc1cccc(-c2cc(C(=O)NC3CCCN(C(=O)OC(C)(C)C)C3)c(NC(=O)Nc3cnccn3)s2)c1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 7/20 0.51
▸ CDK2AP1 O14519 4/20 0.51
▸ USP30 Q70CQ3 4/20 0.42
▸ GABRA5 P31644 1/20 0.37
▸ BTK Q06187 1/20 0.37
▸ HDAC4 P56524 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ ACKR3 P25106 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ PBK Q96KB5 1/20 0.36
▸ ANO1 Q5XXA6 1/20 0.36

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
SCHEMBL4211957 0.97 CHEK1 (0.54) CHEK1CDK2AP1USP30GABRA5BTK
SCHEMBL4213212 0.92 CHEK1 (0.52) CHEK1CDK2AP1USP30BTKHDAC4
SCHEMBL4706488 0.91 CHEK1 (0.56) CHEK1CDK2AP1USP30FAAH
Trifluoroacetic Acid SCHEMBL4213230 0.88 CHEK1 (0.65) CHEK1CDK2AP1USP30
SCHEMBL4703475 0.87 CHEK1 (0.53) CHEK1CDK2AP1USP30FAAH
SCHEMBL1562936 0.87 USP30 (0.55) CHEK1CDK2AP1USP30GABRA5BTK
SCHEMBL4702699 0.85 CHEK1 (0.54) CHEK1CDK2AP1BTKFAAH
SCHEMBL1563863 0.85 USP30 (0.53) CHEK1CDK2AP1USP30GABRA5BTK
SCHEMBL4211373 0.84 CHEK1 (0.69) CHEK1CDK2AP1USP30PARP1
SCHEMBL13951997 0.83 CHEK1 (0.44) CHEK1CDK2AP1USP30FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2009-02-26 — — US disclosed
EP-1660474-B1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2008-10-29 — — EP disclosed
US-7423061-B2 Substitute thiophenes and uses thereof ASTRAZENECA AB (SE) 2008-09-09 — — US disclosed
US-20060281666-A1 Substitute thiophenes and uses therof ASTRAZENECA AB (SE) 2006-12-14 — — US disclosed
EP-1660474-A1 SUBSTITUTED THIOPHENES AND USES THEREOF AstraZeneca AB (SE) 2006-05-31 — — EP disclosed
WO-2005016909-A1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2005-02-24 — — 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 (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-20090054396-A1 SUBSTITUTED THIOPHENES AND USES THEREOF TPMT, ABCG2, TYMP CHEK1 297/4885CDK2AP1 2722/4885USP30 4465/4885
US-20060281666-A1 Substitute thiophenes and uses therof TYMP, TPMT, MGMT CHEK1 602/4885CDK2AP1 2225/4885USP30 3894/4885

“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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