SCHEMBL3047966

SCHEMBL3047966

Cc1ccc2[nH]cc(CCC(=O)N3C(=O)OC[C@@H]3c3ccccc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
NAAA Q02083 1/20 0.42
GLA P06280 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2A P28223 1/20 0.41
GFER P55789 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL3047964 0.80 NAAA (0.39) ALDH1A1HPGDMAPTSMN1; SMN2POLB
SCHEMBL3049506 0.79 SOS1 (0.39) ALDH1A1HPGDMAPTSMN1; SMN2POLB
SCHEMBL13340721 0.76 NAAA (0.49) ALDH1A1HPGDSMN1; SMN2LMNAHTT
SCHEMBL17524653 0.74 NAAA (0.57) ALDH1A1HPGDSMN1; SMN2POLBLMNA
SCHEMBL9557086 0.74 NAAA (0.57) ALDH1A1HPGDSMN1; SMN2POLBLMNA
SCHEMBL19281759 0.74 NAAA (0.57) ALDH1A1HPGDSMN1; SMN2POLBLMNA
SCHEMBL19810282 0.73 NAAA (0.57) ALDH1A1HPGDSMN1; SMN2LMNAHTT
SCHEMBL18007116 0.73 NAAA (0.57) ALDH1A1HPGDSMN1; SMN2LMNAHTT
SCHEMBL31036156 0.72 HPGD (0.69) ALDH1A1HPGDMAPTSMN1; SMN2POLB
SCHEMBL3052924 0.72 HPGD (0.69) ALDH1A1HPGDMAPTSMN1; SMN2POLB

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 ALDH1A1 1958/4885HPGD 4176/4885MAPT 4066/4885
US-20050119163-A1 SH2 domain binding inhibitors GRB2, SRC, LCK ALDH1A1 3924/4885HPGD 4623/4885MAPT 3040/4885

“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.