SCHEMBL2996635

SCHEMBL2996635

CCCCOC(=O)c1sccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALDH1A1 P00352 5/20 0.48
MAPK1 P28482 4/20 0.48
CYP3A4 P08684 3/20 0.48
TP53 P04637 1/20 0.47
HSD17B10 Q99714 2/20 0.47
ESR1 P03372 4/20 0.46
LMNA P02545 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
NR1H2 P55055 1/20 0.46
RNASEL Q05823 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2C9 P11712 1/20 0.45
PDE4D Q08499 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44

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
SCHEMBL28807508 0.94 TSHR (0.55) TSHRL3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL5080666 0.91 TSHR (0.60) TSHRL3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL5239795 0.84 MAPK8 (0.51) TSHRL3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL28197556 0.82 ALDH1A1 (0.59) TSHRL3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL6058447 0.81 MAPK1 (0.43) L3MBTL1TDP1ALDH1A1MAPK1TP53
SCHEMBL10942252 0.80 ESR1 (0.51) TSHRL3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL165805 0.78 TSHR (0.60) TSHRL3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL27356357 0.78 TSHR (0.60) TSHRL3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL5278956 0.78 ALDH1A1 (0.60) TSHRL3MBTL1TDP1ALDH1A1MAPK1
SCHEMBL15854184 0.77 TSHR (0.58) TSHRL3MBTL1TDP1ALDH1A1MAPK1

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 4 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
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

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 TSHR 1213/4885L3MBTL1 4079/4885TDP1 2145/4885

“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.