SCHEMBL2860601

SCHEMBL2860601

C=CC(N)CC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC15A1 P46059 2/20 0.53
▸ ALDH1A1 P00352 4/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ HCAR2 Q8TDS4 1/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ SLC6A2 P23975 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ CDC25B P30305 1/20 0.44
▸ SLC1A3 P43003 2/20 0.43
▸ SLC1A2 P43004 2/20 0.43
▸ SLC1A1 P43005 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TGM2 P21980 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
SCHEMBL6265164 0.86 SLC15A1 (0.55) SLC15A1ALDH1A1MAPK1L3MBTL1HCAR2
SCHEMBL16596492 0.86 SLC15A1 (0.55) SLC15A1ALDH1A1MAPK1L3MBTL1HCAR2
Hydrochloric Acid SCHEMBL27518479 0.80 ALDH1A1 (0.59) SLC15A1ALDH1A1MAPK1L3MBTL1HCAR2
SCHEMBL6546883 0.80 ALDH1A1 (0.59) SLC15A1ALDH1A1MAPK1L3MBTL1HCAR2
Hydrochloric Acid SCHEMBL19511476 0.80 ALDH1A1 (0.59) SLC15A1ALDH1A1MAPK1L3MBTL1HCAR2
SCHEMBL6157816 0.80 SLC15A1 (0.52) SLC15A1ALDH1A1MAPK1L3MBTL1HCAR2
SCHEMBL84418 0.79 SLC15A1 (0.63) SLC15A1ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL4523936 0.79 SLC15A1 (0.65) SLC15A1ALDH1A1MAPK1L3MBTL1KMT2A
SCHEMBL589202 0.79 SLC15A1 (0.61) SLC15A1ALDH1A1MAPK1L3MBTL1HCAR2
SCHEMBL8025769 0.79 ALDH1A1 (0.50) SLC15A1ALDH1A1MAPK1L3MBTL1HCAR2

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
US-7807690-B2 2,3-dihydro-iminoisoindole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-05 — — US disclosed
US-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES CLARK RICHARD 2010-07-22 — — US disclosed
EP-2202231-A1 2,3-DIHYDROIMINOISOINDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-06-30 — — EP disclosed
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 — — 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-20100184981-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 SLC15A1 2248/4885ALDH1A1 1133/4885MAPK1 721/4885
US-20090270433-A1 2,3-DIHYDRO-IMINOISOINDOLE DERIVATIVES SERPINC1, F7, F2 SLC15A1 2082/4885ALDH1A1 1107/4885MAPK1 715/4885

“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.

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