SCHEMBL15865877

SCHEMBL15865877

C[C@@H](Cc1ccc(N)cc1)C[C@H](C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.44
ACE P12821 8/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TBXAS1 P24557 2/20 0.43
PTGS1 P23219 3/20 0.42
PTGS2 P35354 3/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
AKR1C3 P42330 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
ALB P02768 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX5 P09917 1/20 0.42
RARB P10826 1/20 0.42
ADRB3 P13945 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
NR1I3 Q14994 1/20 0.42

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
SCHEMBL15134787 1.00 MME (0.44) MMEACENPC1RAB9ATBXAS1
SCHEMBL16203101 0.90 MME (0.43) MMEACENPC1RAB9ATBXAS1
SCHEMBL12864787 0.90 MME (0.43) MMEACENPC1RAB9ATBXAS1
SCHEMBL15134785 0.86 NPC1 (0.41) NPC1RAB9AESR1ITGB1ITGA5
SCHEMBL15160675 0.86 NPC1 (0.41) NPC1RAB9AESR1ITGB1ITGA5
SCHEMBL15568884 0.85 TBXAS1 (0.51) MMENPC1RAB9ATBXAS1PTGS1
SCHEMBL15134789 0.85 TBXAS1 (0.51) MMENPC1RAB9ATBXAS1PTGS1
SCHEMBL12200630 0.85 TBXAS1 (0.51) MMENPC1RAB9ATBXAS1PTGS1
SCHEMBL12879843 0.85 ENPEP (0.49) MMEACENPC1RAB9ATBXAS1
SCHEMBL15134788 0.85 ENPEP (0.49) MMEACENPC1RAB9ATBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580467-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof E. R. SQUIBB & SONS, L.L.C. (US) 2017-02-28 US disclosed
US-20160060294-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF E. R. SQUIBB & SONS, L.L.C. 2016-03-03 US disclosed
US-9226974-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof E. R. SQUIBB & SONS, L.L.C. (US) 2016-01-05 US disclosed
US-20140323690-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF E. R. SQUIBB & SONS, L.L.C. 2014-10-30 US disclosed
US-8802632-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof MEDAREX, L.L.C. (US) 2014-08-12 US disclosed
US-8772543-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof MEDAREX, L.L.C. (US) 2014-07-08 US disclosed
US-8772542-B2 Antiproliferative compounds, conjugates thereof, methods therefor, and uses thereof MEDAREX, L.L.C. (US) 2014-07-08 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-20160060294-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 MME 2670/4885ACE 4734/4885NPC1 1145/4885
US-20140323690-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 MME 2670/4885ACE 4734/4885NPC1 1145/4885

“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.