SCHEMBL4114697

SCHEMBL4114697

Cc1cc(-c2cc(C(=O)O)c(O)c(-c3ccccc3)c2)cc(C(C)(C)C)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.64
▸ RXRB P28702 5/20 0.55
▸ RXRA P19793 4/20 0.55
▸ PTPN6 P29350 3/20 0.52
▸ PTPN2 P17706 2/20 0.52
▸ AKR1C2 P52895 7/20 0.50
▸ AKR1C1 Q04828 7/20 0.50
▸ AKR1C3 P42330 2/20 0.50
▸ AKR1C4 P17516 1/20 0.44
▸ HNF4A P41235 1/20 0.44
▸ IKBKB O14920 1/20 0.44
▸ CHUK O15111 1/20 0.44
▸ RXRG P48443 1/20 0.42

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
SCHEMBL4121659 0.88 PTPN1 (0.49) PTPN1RXRBRXRAPTPN6PTPN2
SCHEMBL9247600 0.84 PTPN1 (0.63) PTPN1RXRBRXRAPTPN6PTPN2
SCHEMBL9651394 0.80 PTPN1 (0.69) PTPN1PTPN6PTPN2AKR1C2AKR1C1
SCHEMBL5437754 0.80 PTPN1 (1.00) PTPN1PTPN6PTPN2AKR1C2AKR1C1
SCHEMBL5013821 0.78 MAPK14 (0.42) PTPN1RXRBRXRAIKBKB
SCHEMBL4132641 0.77 IKBKB (0.47) RXRBRXRAIKBKB
SCHEMBL30388543 0.76 RXRB (0.64) RXRBRXRARXRG
SCHEMBL9250549 0.76 AKR1C2 (0.60) PTPN1RXRBRXRAPTPN6PTPN2
SCHEMBL3994140 0.74 PTPN1 (0.74) PTPN1PTPN6PTPN2AKR1C2AKR1C1
SCHEMBL313198 0.73 PTPN1 (0.59) PTPN1PTPN6PTPN2AKR1C2AKR1C1

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-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 — — US claimed
US-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR ASTRAZENECA AB (SE) 2009-07-30 — — 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-20090192190-A1 Benzoic Acid Derivatives that are Modulators or Agonists of GlyR GLRA1, GLRB, GPBAR1 PTPN1 1748/4885RXRB 239/4885RXRA 216/4885

“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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