SCHEMBL1144949

SCHEMBL1144949

COc1cc2cc(C(=O)O)[nH]c2cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.56
▸ SRD5A1 P18405 1/20 0.56
▸ EIF4A3 P38919 3/20 0.56
▸ KDM4E B2RXH2 4/20 0.54
▸ HPGD P15428 4/20 0.54
▸ LMNA P02545 3/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ GPR35 Q9HC97 1/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ PDPK1 O15530 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ APEX1 P27695 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ PIN1 Q13526 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.45

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
SCHEMBL1144612 0.94 EIF4A3 (0.60) SRD5A2SRD5A1EIF4A3KDM4EHPGD
SCHEMBL335983 0.87 SRD5A1 (0.70) SRD5A2SRD5A1EIF4A3KDM4EHPGD
SCHEMBL3361096 0.83 GPR35 (0.67) SRD5A2SRD5A1EIF4A3KDM4EHPGD
SCHEMBL30779684 0.83 GPR35 (0.67) SRD5A2SRD5A1EIF4A3KDM4EHPGD
SCHEMBL3100380 0.83 SRD5A2 (0.58) SRD5A2SRD5A1EIF4A3KDM4EHPGD
SCHEMBL23389139 0.82 EIF4A3 (0.50) SRD5A2SRD5A1EIF4A3KDM4EHPGD
SCHEMBL30068484 0.82 EIF4A3 (0.50) SRD5A2SRD5A1EIF4A3KDM4EHPGD
SCHEMBL6877620 0.81 KMT2A (0.41) SRD5A2SRD5A1EIF4A3KDM4EHPGD
SCHEMBL7086766 0.81 KDM4E (0.60) SRD5A2SRD5A1KDM4EHPGDLMNA
SCHEMBL1822934 0.81 EIF4A3 (0.68) SRD5A2EIF4A3KDM4EHPGDLMNA

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
EP-2297163-B1 Pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER (US) 2015-07-08 — — EP disclosed
US-8318762-B2 Pyrazolospiroketone acetyl-CoA carboxylase inhibitors PFIZER INC. (US) 2012-11-27 — — US disclosed
US-20110028390-A1 Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors PFIZER, INC. (US) 2011-02-03 — — US disclosed
WO-2010101127-A1 INDOLE COMPOUND アステラス製薬株式会社 (JP) 2010-09-10 — — 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-20110028390-A1 Pyrazolospiroketone Acetyl-CoA Carboxylase Inhibitors ACACA, PC, ACACB SRD5A2 435/4885SRD5A1 279/4885EIF4A3 1192/4885

“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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