SCHEMBL5212646

SCHEMBL5212646

CC(C)(C)OC(=O)C(N)c1ccc(CC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.43
ENPEP Q07075 1/20 0.43
F2 P00734 1/20 0.41
RXRA P19793 2/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
CA2 P00918 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AKR1B1 P15121 1/20 0.39
LMNA P02545 2/20 0.39
ABCC4 O15439 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
PTGS1 P23219 1/20 0.39
HTT P42858 1/20 0.39
NR1H4 Q96RI1 2/20 0.38
CYP3A4 P08684 2/20 0.38

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
SCHEMBL28162095 0.85 FFAR1 (0.45) RXRARXRBRXRGCA2LMNA
SCHEMBL27572794 0.85 CYP4F2 (0.46) ALDH1A1HPGDLMNAGAATSHR
SCHEMBL855255 0.84 LOXL2 (0.41) ANPEPLMNACYP3A4CYP1A2CYP2C19
SCHEMBL3643384 0.84 PPARG (0.41) F2CA2LMNACYP3A4CYP1A2
Ammonia Solution, Strong SCHEMBL23885016 0.83 LOXL2 (0.40) ANPEPLMNACYP3A4CYP1A2CYP2C19
SCHEMBL27364974 0.83 CYP3A4 (0.41) F2CA2LMNAGAACYP3A4
SCHEMBL9077712 0.83 APP (0.44) RXRARXRBRXRGCA2CAMK2A
SCHEMBL8127986 0.82 CYP3A4 (0.38) F2LMNACYP3A4CYP1A2CYP2C19
SCHEMBL27846898 0.82 TAAR1 (0.39) ALDH1A1LMNACYP3A4CYP1A2CYP2C19
SCHEMBL30065221 0.80 L3MBTL1 (0.45) ALDH1A1LMNACYP1A2CYP2D6SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101258131-B As 5-HT2c6-aralkylamino-2 receptor agonists LILLY CO ELI 2013-07-24 CN disclosed
CN-101258131-A As 5-HT2c6-aralkylamino-2, 3,4, 5-tetrahydro-1H-benzo [ d ] receptors as agonists]Aza * LILLY CO ELI (US) 2008-09-03 CN disclosed
EP-1240154-B1 SERINE PROTEASE INHIBITORS TULARIK LTD (GB) 2007-02-28 EP disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 US disclosed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 US disclosed
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
WO-2001027096-A9 AMINOMETHYL-(HETERO)ARYL DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS PROTHERICS MOLECULAR DESIGN LT (GB) 2001-07-12 WO disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 WO disclosed
WO-2001027096-A1 AMINOMETHYL-(HETERO)ARYL DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS TULARIK LIMITED (GB) 2001-04-19 WO 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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 ANPEP 140/4885ENPEP 119/4885F2 69/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 ANPEP 147/4885ENPEP 159/4885F2 122/4885

“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.