SCHEMBL2985227

SCHEMBL2985227

Cc1ccsc1C(N)CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
GSK3B P49841 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
FFAR1 O14842 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CTSA P10619 3/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL2994556 0.82 ALOX5 (0.44) ALOX5GSK3BSMN1; SMN2KDM4ECYP1A2
SCHEMBL27512096 0.81 ALOX5 (0.45) ALOX5GSK3BFFAR1CTSA
SCHEMBL26444844 0.77 ALOX5 (0.42) ALOX5GSK3BFFAR1CTSAGAA
SCHEMBL11902940 0.77 ALOX5 (0.51) ALOX5GSK3BSMN1; SMN2NPC1RAB9A
SCHEMBL12261609 0.76 ALOX5 (0.42) ALOX5GSK3BNPC1RAB9A
SCHEMBL3525769 0.74 ALOX5 (0.40) ALOX5GSK3BFFAR1CTSAGAA
SCHEMBL27727056 0.73 ALOX5 (0.50) ALOX5GSK3BFFAR1KDM4E
Maleic Acid SCHEMBL9482727 0.73 SLC15A1 (0.46) ALOX5CYP2C19
Fumaric Acid SCHEMBL9482738 0.73 SLC15A1 (0.46) ALOX5CYP2C19
SCHEMBL8760194 0.72 SLC6A2 (0.46)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2083011-B1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO TECH CO LTD (CN) 2014-06-04 EP disclosed
US-8466191-B2 Pyrroline derivatives against cell releasing tumor necrosis factor, preparation methods and uses thereof ZHANG HESHENG (CN) 2013-06-18 US disclosed
CN-101186612-B Pyrroline derivative capable of inhibiting cell to release tumor necrotic factor and its preparation and application TIANJIN HEMEI BIOLOG TECHNOLOGY CO LTD 2012-10-03 CN disclosed
US-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-07-15 US disclosed
EP-2083011-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF Tian Jin Hemay Bio-Tech Co., Ltd. (CN) 2009-07-29 EP disclosed
CN-101186612-A Pyrroline derivative capable of inhibiting cell to release tumor necrotic factor and its preparation and application TIANJIN HEMEI BIOLOG TECHNOLOG (CN) 2008-05-28 CN 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 (1 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-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, NOS1 ALOX5 242/4885GSK3B 4718/4885SMN1; SMN2 2069/4885

“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.