Sugi Predict

Sugi Predict / Compounds / SCHEMBL3047964

SCHEMBL3047964

SCHEMBL3047964

Cc1ccc2[nH]c(CCC(=O)N3C(=O)OC[C@@H]3c3ccccc3)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 3/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ TP53 P04637 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ LOXL2 Q9Y4K0 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PIN1 Q13526 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ KIF11 P52732 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ FFAR1 O14842 2/20 0.35

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
SCHEMBL3047966 0.80 ALDH1A1 (0.47) NAAAHPGDSMN1; SMN2LMNAMAPT
SCHEMBL3049505 0.79 RAB9A (0.35) RAB9ANPC1TP53HPGDSMN1; SMN2
SCHEMBL27254676 0.77 NAAA (0.38) NAAARAB9ANPC1TP53HPGD
SCHEMBL19281759 0.75 NAAA (0.57) NAAARAB9ANPC1TP53HPGD
SCHEMBL17524653 0.75 NAAA (0.57) NAAARAB9ANPC1TP53HPGD
SCHEMBL9557086 0.75 NAAA (0.57) NAAARAB9ANPC1TP53HPGD
SCHEMBL13340721 0.74 NAAA (0.49) NAAARAB9ANPC1TP53HPGD
SCHEMBL19810282 0.74 NAAA (0.57) NAAARAB9ANPC1TP53HPGD
SCHEMBL18007116 0.74 NAAA (0.57) NAAARAB9ANPC1TP53HPGD
SCHEMBL3052921 0.72 LOXL2 (0.58) RAB9ANPC1TP53HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767645-B2 SH2 domain binding inhibitors THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-08-03 — — US disclosed
US-20080132469-A1 2-{(9S,10S,14R,18S)-7,16,19-Triaza-18-(carbamoylmethyl)-14-[(5-methyl indolyl)methyl]-8,17,20-trioxo-10-[4-(phosphonomethyl)phenyl]spiro[5.14]icos-11-en-9-yl}acetic acid; anticarcinogen GOVERNMENT OF THE UNITED STATES, REPRESENTED BY THE SECRETARY, DEPARTMENT (US) 2008-06-05 — — US disclosed
US-20050119163-A1 SH2 domain binding inhibitors THE GOVERNMENT OF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, (US) 2005-06-02 — — 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 (2 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-20080132469-A1 2-{(9S,10S,14R,18S)-7,16,19-Triaza-18-(carbamoylmethyl)-14-[(5-methyl indolyl)methyl]-8,17,20-trioxo-10-[4-(phosphonomethyl)phenyl]spiro[5.14]icos-11-en-9-yl}acetic acid; anticarcinogen ICOSLG, ICOS, LCK NAAA 3668/4885RAB9A 1063/4885NPC1 3898/4885
US-20050119163-A1 SH2 domain binding inhibitors GRB2, SRC, LCK NAAA 4853/4885RAB9A 1485/4885NPC1 3753/4885

“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.