Sugi Predict

Sugi Predict / Compounds / SCHEMBL3049506

SCHEMBL3049506

SCHEMBL3049506

C=CC[C@@H](Cc1c[nH]c2ccc(C)cc12)C(=O)N1C(=O)OC[C@@H]1c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ MAPT P10636 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ HTR1D P28221 1/20 0.36
▸ HTR1B P28222 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR1E P28566 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ HTR7 P34969 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ HRH1 P35367 1/20 0.36

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
SCHEMBL3049505 0.83 RAB9A (0.35) ALDH1A1HPGDMAPTPOLBSMN1; SMN2
SCHEMBL3047966 0.79 ALDH1A1 (0.47) ALDH1A1HPGDMAPTPOLBSMN1; SMN2
SCHEMBL12849673 0.78 ALDH1A1 (0.41) ALDH1A1HPGDSMN1; SMN2LMNAHTT
SCHEMBL16796724 0.73 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2LMNAHTT
SCHEMBL16796721 0.73 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2LMNAHTT
SCHEMBL21930584 0.71 IL6ST (0.45) ALDH1A1HPGDSMN1; SMN2LMNAHTT
SCHEMBL21930586 0.71 IL6ST (0.45) ALDH1A1HPGDSMN1; SMN2LMNAHTT
SCHEMBL21930588 0.71 IL6ST (0.45) ALDH1A1HPGDSMN1; SMN2LMNAHTT
SCHEMBL18654078 0.69 ALDH1A1 (0.40) ALDH1A1HPGDSMN1; SMN2LMNAHTT
SCHEMBL21930236 0.68 ALDH1A1 (0.39) ALDH1A1HPGDSMN1; SMN2LMNAHTT

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 SOS1 3133/4885ALDH1A1 1958/4885HPGD 4176/4885
US-20050119163-A1 SH2 domain binding inhibitors GRB2, SRC, LCK SOS1 1202/4885ALDH1A1 3924/4885HPGD 4623/4885

“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.