Sugi Predict

Sugi Predict / Compounds / SCHEMBL3859397

SCHEMBL3859397

SCHEMBL3859397

Cc1cccc(C(=O)O)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ MYC P01106 1/20 0.44
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ AKR1B10 O60218 1/20 0.40
▸ TRPA1 O75762 1/20 0.40
▸ ABCB11 O95342 1/20 0.40
▸ DHFR P00374 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MPO P05164 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ AKR1B1 P15121 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
SCHEMBL1811614 0.83 NR4A2 (0.41) ALDH1A1KDM4EHSD17B10MYCKMT2A
SCHEMBL11663 0.81 CLCN2 (0.43) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL28721195 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10MYC
SCHEMBL20723148 0.81 TSHR (0.50) ALDH1A1HPGDHSD17B10CYP3A4CYP2C9
SCHEMBL16599402 0.81 LIPG (0.34) ALDH1A1KDM4EHPGDHSD17B10MYC
SCHEMBL4674071 0.80 LPL (0.44) TRPA1CYP1A2LIPGLPL
SCHEMBL30689729 0.80 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10MYC
SCHEMBL28950656 0.80 USP30 (0.37) ALDH1A1KDM4EHPGDHSD17B10CYP2C9
SCHEMBL17939981 0.78 LPL (0.35) ALDH1A1KDM4EHPGDHSD17B10CYP1A2
SCHEMBL1064176 0.78 RAB9A (0.39) ALDH1A1KDM4EHPGDHSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576098-B2 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-18 — — US disclosed
US-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors BERTHEL STEVEN JOSEPH 2009-04-23 — — US disclosed
EP-1828152-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL MYERS SQUIBB CO (US) 2008-08-20 — — EP disclosed
EP-1812409-A1 AMINOQUINAZOLINES COMPOUNDS F. Hoffmann-Roche AG (CH) 2007-08-01 — — EP disclosed
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors BERTHEL STEVEN J 2006-09-21 — — US disclosed
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 — — US disclosed
WO-2006050843-A1 AMINOQUINAZOLINES COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-05-18 — — 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 (3 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-20090105477-A1 Quinazoline Protein Tyrosine Phosphatase Inhibitors PTPN5, PTPN1, PTPN7 ALDH1A1 1591/4885KDM4E 462/4885HPGD 3373/4885
US-20060211715-A1 Quinazoline protein tyrosine phosphatase inhibitors PTPN5, PTPN1, PTPN7 ALDH1A1 1591/4885KDM4E 462/4885HPGD 3373/4885
US-20060211720-A1 Heterocyclic compounds as inhibitors of factor VIIa TFPI, F7, HABP2 ALDH1A1 3937/4885KDM4E 631/4885HPGD 602/4885

“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.