Sugi Predict

Sugi Predict / Compounds / SCHEMBL3049889

SCHEMBL3049889

SCHEMBL3049889

C=CC[C@@H](CNC(=O)[C@@H](N)CC(N)=O)Cc1cc2cc(C)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ADAM17 P78536 1/20 0.34
▸ HDAC1 Q13547 2/20 0.33
▸ PIN1 Q13526 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TP53 P04637 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ DAO P14920 1/20 0.31

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
SCHEMBL3049891 0.80 MTNR1A (0.43) KDM4EALDH1A1HSD17B10SMN1; SMN2POLB
SCHEMBL3047572 0.76 LOXL2 (0.56) LOXL2RAB9ANPC1PIN1KDM4E
SCHEMBL3052891 0.76 LOXL2 (0.56) LOXL2RAB9ANPC1PIN1KDM4E
SCHEMBL3039101 0.76 LOXL2 (0.49) LOXL2RAB9ANPC1ADAM17PIN1
SCHEMBL14082054 0.70 MTNR1A (0.40) KDM4EALDH1A1POLB
SCHEMBL3052274 0.67 LOXL2 (0.40) LOXL2RAB9ANPC1PIN1KDM4E
SCHEMBL31065503 0.64 LOXL2 (0.62) LOXL2RAB9ANPC1PIN1KDM4E
SCHEMBL28038746 0.60 LOXL2 (0.60) LOXL2RAB9ANPC1PIN1SIRT1
SCHEMBL30705453 0.60 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDPOLB
SCHEMBL30705488 0.60 KDM4E (0.57) KDM4EALDH1A1HSD17B10HPGDPOLB

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 LOXL2 4721/4885RAB9A 1063/4885NPC1 3898/4885
US-20050119163-A1 SH2 domain binding inhibitors GRB2, SRC, LCK LOXL2 4291/4885RAB9A 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.