SCHEMBL10239019

SCHEMBL10239019

CCCc1ccc2cc(C(=O)O)sc2c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.53
BCL2L1 Q07817 1/20 0.51
GPR35 Q9HC97 2/20 0.47
HDAC1 Q13547 10/20 0.47
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MCL1 Q07820 1/20 0.43
P2RY14 Q15391 1/20 0.40
RAB9A P51151 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
SCHEMBL153980 0.87 MEN1 (0.57) TBXAS1BCL2L1GPR35HDAC1HDAC3
SCHEMBL31325073 0.83 TBXAS1 (0.52) TBXAS1BCL2L1GPR35HDAC1HDAC3
SCHEMBL191611 0.82 TBXAS1 (0.57) TBXAS1BCL2L1GPR35HDAC1HDAC3
SCHEMBL31207829 0.82 TBXAS1 (0.57) TBXAS1BCL2L1GPR35HDAC1HDAC3
SCHEMBL26107968 0.81 TBXAS1 (0.56) TBXAS1BCL2L1GPR35HDAC1HDAC3
SCHEMBL17842764 0.80 TBXAS1 (0.52) TBXAS1BCL2L1GPR35HDAC1HDAC3
SCHEMBL10239018 0.79 CLK1 (0.55) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL121300 0.78 HDAC1 (0.70) TBXAS1BCL2L1GPR35HDAC1HDAC3
SCHEMBL3572335 0.78 TBXAS1 (0.53) TBXAS1BCL2L1GPR35HDAC1HDAC3
SCHEMBL26109499 0.76 TBXAS1 (0.55) TBXAS1BCL2L1GPR35HDAC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 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 (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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB TBXAS1 592/4885BCL2L1 1973/4885GPR35 1571/4885

“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.