SCHEMBL3994654

SCHEMBL3994654

CC(C)(C)c1ccc(Oc2ccc3cnc(C(=O)NC(Cc4ccc(OCc5ccccc5)cc4)C(=O)O)cc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.53
▸ GPR132 Q9UNW8 4/20 0.50
▸ PPARG P37231 2/20 0.48
▸ GPR34 Q9UPC5 5/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SCN9A Q15858 1/20 0.46
▸ MME P08473 1/20 0.46
▸ ACE P12821 1/20 0.46
▸ CPA1 P15085 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ PTPN2 P17706 1/20 0.45
▸ CDC25B P30305 1/20 0.45
▸ YAP1 P46937 1/20 0.44

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
SCHEMBL8297974 0.92 PTPN1 (0.47) PTPN1GPR132GPR34MEN1ALDH1A1
SCHEMBL3997322 0.92 PTPN1 (0.47) PTPN1GPR132GPR34MEN1ALDH1A1
SCHEMBL3993344 0.92 PTPN1 (0.47) PTPN1GPR132GPR34MEN1ALDH1A1
SCHEMBL3991728 0.92 KMT2A (0.50) PTPN1GPR132MEN1ALDH1A1LMNA
SCHEMBL3993383 0.91 PTPN1 (0.48) PTPN1GPR132MEN1ALDH1A1LMNA
SCHEMBL3991130 0.90 PTPN1 (0.47) PTPN1GPR132GPR34MEN1ALDH1A1
SCHEMBL3998651 0.90 PTPN1 (0.47) PTPN1GPR132GPR34MEN1ALDH1A1
SCHEMBL4126921 0.89 SCN9A (0.49) PTPN1GPR132PPARGGPR34MEN1
SCHEMBL3995206 0.89 KDM4E (0.43) PTPN1GPR132MEN1ALDH1A1LMNA
SCHEMBL3994273 0.89 SCN9A (0.44) PTPN1GPR132GPR34MEN1ALDH1A1

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
US-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 — — US disclosed
EP-1660439-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-05-31 — — EP disclosed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 — — US disclosed
WO-2005014533-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 — — 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-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 PTPN1 1846/4885GPR132 2429/4885PPARG 2553/4885

“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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