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Sugi Predict / Compounds / SCHEMBL3049505

SCHEMBL3049505

SCHEMBL3049505

C=CC[C@@H](Cc1cc2cc(C)ccc2[nH]1)C(=O)N1C(=O)OC[C@@H]1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ ADAM17 P78536 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.32
▸ BRD4 O60885 4/20 0.32
▸ TP53 P04637 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ PDGFRB P09619 1/20 0.32
▸ PDGFRA P16234 1/20 0.32
▸ PIN1 Q13526 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HPGD P15428 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ KDM4E B2RXH2 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
SCHEMBL3049506 0.83 SOS1 (0.39) ALDH1A1GAAHTTPOLBMAPT
SCHEMBL12849673 0.81 ALDH1A1 (0.41) RAB9ANPC1ALDH1A1GAAHTT
SCHEMBL3047964 0.79 NAAA (0.39) RAB9ANPC1TSHRALDH1A1LOXL2
SCHEMBL16796724 0.74 ALDH1A1 (0.44) RAB9ANPC1ALDH1A1GAAHTT
SCHEMBL16796721 0.74 ALDH1A1 (0.44) RAB9ANPC1ALDH1A1GAAHTT
SCHEMBL21930584 0.72 IL6ST (0.45) RAB9ANPC1ALDH1A1GAAHTT
SCHEMBL21930588 0.72 IL6ST (0.45) RAB9ANPC1ALDH1A1GAAHTT
SCHEMBL21930586 0.72 IL6ST (0.45) RAB9ANPC1ALDH1A1GAAHTT
SCHEMBL18654078 0.70 ALDH1A1 (0.40) RAB9ANPC1ALDH1A1GAAHTT
SCHEMBL21930236 0.69 ALDH1A1 (0.39) RAB9ANPC1ALDH1A1GAAHTT

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 RAB9A 1063/4885NPC1 3898/4885ADAM17 4596/4885
US-20050119163-A1 SH2 domain binding inhibitors GRB2, SRC, LCK RAB9A 1485/4885NPC1 3753/4885ADAM17 4548/4885

“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.