SCHEMBL2434993

SCHEMBL2434993

Cc1ccc(-c2ccc(C[C@H](N)[C@@H](O)C[C@H](Cc3ccccc3)N(C(=O)O)C(C)(C)C)cc2)nc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 6/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
REN P00797 1/20 0.35
UGT1A1 P22309 2/20 0.34
MLNR O43193 1/20 0.34
NR1I2 O75469 1/20 0.34
SLCO2B1 O94956 1/20 0.34
ABCB11 O95342 1/20 0.34
ABCB1 P08183 1/20 0.34
CCKAR P32238 1/20 0.34
OPRK1 P41145 1/20 0.34
GHSR Q92847 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL894048 0.88 UGT1A1 (0.44) TPH1RENUGT1A1MLNRNR1I2
SCHEMBL2438701 0.88 UGT1A1 (0.44) TPH1RENUGT1A1MLNRNR1I2
SCHEMBL2439405 0.87 NPC1 (0.36) TPH1NPC1RAB9ASMN1; SMN2REN
SCHEMBL2436076 0.85 UGT1A1 (0.34) TPH1NPC1RAB9ASMN1; SMN2UGT1A1
SCHEMBL893379 0.84 CSNK1E (0.44) RENOPRK1SLC15A1CSNK1E
SCHEMBL2434389 0.81 MMP12 (0.41) REN
SCHEMBL2440803 0.81 OPRK1 (0.45) RENOPRK1LTA4HCSNK1E
SCHEMBL2442950 0.80 UGT1A1 (0.58) UGT1A1MLNRNR1I2SLCO2B1ABCB11
SCHEMBL3805282 0.80 MME (0.41) TPH1RENMEN1KMT2A
SCHEMBL3803784 0.80 MME (0.41) TPH1RENMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 EP disclosed
US-7834043-B2 Prevent reproduct of aids virus ABBOTT LABORATORIES (US) 2010-11-16 US disclosed
US-20100249181-A1 HIV Protease Inhibiting Compounds ABBOTT LABORATORIES (US) 2010-09-30 US disclosed
US-20050148623-A1 Prevent reproduct of aids virus ABBVIE INC. 2005-07-07 US disclosed
US-20050131017-A1 HIV protease inhibiting compounds ABBOTT LABORATORIES 2005-06-16 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 (3 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-20050148623-A1 Prevent reproduct of aids virus SERPINB1, PRSS1, SERPINA3 TPH1 1712/4885NPC1 959/4885RAB9A 2076/4885
US-20050131017-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP TPH1 2046/4885NPC1 569/4885RAB9A 2012/4885
US-20100249181-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP TPH1 2046/4885NPC1 569/4885RAB9A 2012/4885

“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.