SCHEMBL17435747

SCHEMBL17435747

O=C(O)c1cc2ccc(C#CC3CC3CO)cc2s1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 1/20 0.40
▸ GPR35 Q9HC97 2/20 0.38
▸ TBXAS1 P24557 1/20 0.37
▸ CHRNA7 P36544 2/20 0.34
▸ RPA1 P27694 4/20 0.32
▸ HDAC1 Q13547 7/20 0.32
▸ STING1 Q86WV6 1/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 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
SCHEMBL17451863 1.00 BCL2L1 (0.40) BCL2L1GPR35TBXAS1CHRNA7RPA1
SCHEMBL17435749 1.00 BCL2L1 (0.40) BCL2L1GPR35TBXAS1CHRNA7RPA1
SCHEMBL17451865 1.00 BCL2L1 (0.40) BCL2L1GPR35TBXAS1CHRNA7RPA1
SCHEMBL17435386 0.78 HDAC1 (0.36) CHRNA7HDAC1HDAC3HDAC4HDAC7
SCHEMBL17453182 0.78 TAS1R3 (0.38) CHRNA7HDAC1HDAC3HDAC4HDAC7
SCHEMBL17451867 0.78 TAS1R3 (0.38) CHRNA7HDAC1HDAC3HDAC4HDAC7
SCHEMBL17435552 0.78 TAS1R3 (0.38) CHRNA7HDAC1HDAC3HDAC4HDAC7
SCHEMBL19102868 0.78 TAS1R3 (0.38) CHRNA7HDAC1HDAC3HDAC4HDAC7
SCHEMBL17435508 0.78 HDAC1 (0.36) CHRNA7HDAC1HDAC3HDAC4HDAC7
SCHEMBL19102811 0.78 TAS1R3 (0.38) CHRNA7HDAC1HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170369426-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2017-12-28 — — US disclosed
US-9701622-B2 Antibacterial agents ACHAOGEN, INC. (US) 2017-07-11 — — US disclosed
US-20160280639-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-09-29 — — US disclosed
US-9403758-B2 Antibacterial agents ACHAOGEN, INC. (US) 2016-08-02 — — US disclosed
US-20160016895-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2016-01-21 — — 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 (3 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-20160016895-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS BCL2L1 769/4885GPR35 3155/4885TBXAS1 1416/4885
US-20170369426-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS BCL2L1 769/4885GPR35 3155/4885TBXAS1 1416/4885
US-20160280639-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS BCL2L1 769/4885GPR35 3155/4885TBXAS1 1416/4885

“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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