SCHEMBL3991728

SCHEMBL3991728

CC(C)(C)c1ccc(Oc2ccc3cc(C(=O)N[C@@H](Cc4ccccc4)C(=O)O)ncc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SCN9A Q15858 1/20 0.50
▸ PTPN1 P18031 3/20 0.47
▸ GPR132 Q9UNW8 6/20 0.46
▸ MAPT P10636 1/20 0.44
▸ PTPN2 P17706 1/20 0.44
▸ CDC25B P30305 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ KDM4A O75164 1/20 0.43
▸ CMKLR2 P46091 1/20 0.42
▸ CMKLR1 Q99788 1/20 0.42
▸ MME P08473 2/20 0.42
▸ ACE P12821 2/20 0.42
▸ CPA1 P15085 2/20 0.42
▸ ACE2 Q9BYF1 2/20 0.42
▸ ITGB1 P05556 2/20 0.42
▸ ITGB3 P05106 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
SCHEMBL3993383 0.97 PTPN1 (0.48) KMT2AALDH1A1MEN1LMNASCN9A
SCHEMBL3991130 0.95 PTPN1 (0.47) KMT2AALDH1A1MEN1LMNASCN9A
SCHEMBL3998651 0.95 PTPN1 (0.47) KMT2AALDH1A1MEN1LMNASCN9A
SCHEMBL8297974 0.93 PTPN1 (0.47) KMT2AALDH1A1MEN1LMNASCN9A
SCHEMBL3997322 0.93 PTPN1 (0.47) KMT2AALDH1A1MEN1LMNASCN9A
SCHEMBL3993344 0.93 PTPN1 (0.47) KMT2AALDH1A1MEN1LMNASCN9A
SCHEMBL3994654 0.92 PTPN1 (0.53) KMT2AALDH1A1MEN1LMNASCN9A
SCHEMBL3991880 0.92 PTPN1 (0.52) KMT2AALDH1A1MEN1LMNASCN9A
SCHEMBL3995727 0.92 SCN9A (0.50) KMT2AALDH1A1MEN1LMNASCN9A
SCHEMBL3991995 0.92 KDM4E (0.44) KMT2AALDH1A1MEN1LMNASCN9A

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-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 — — US disclosed
US-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 — — US disclosed
US-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 — — US 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 KMT2A 1337/4885ALDH1A1 2886/4885MEN1 3738/4885

“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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