SCHEMBL2800521

SCHEMBL2800521

COCCC1(C(=O)O)CCN(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 4/20 0.38
ATM Q13315 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
LMNA P02545 1/20 0.34
CYP4F2 P78329 3/20 0.34
CYP4A11 Q02928 3/20 0.34
CYP1A2 P05177 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
CYP2D6 P10635 1/20 0.31

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
SCHEMBL746546 0.90 ALDH1A1 (0.41) MAPK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL25174478 0.84 MAPK1 (0.41) MAPK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL29117284 0.83 MAPK1 (0.37) MAPK1MEN1KMT2AKDM4EALDH1A1
SCHEMBL29215638 0.82 USP2 (0.43) KDM4EATMCYP4F2CYP4A11
SCHEMBL3877084 0.80 CYP2C19 (0.47) MAPK1KDM4EALDH1A1CYP4F2CYP4A11
SCHEMBL28278251 0.78 CYP2C19 (0.50) MAPK1KDM4EALDH1A1CYP4F2CYP4A11
SCHEMBL28251465 0.77 KDM4E (0.33) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL31231161 0.76 CYP4F2 (0.43) MAPK1KDM4ECYP4F2CYP4A11
SCHEMBL29215444 0.76 CYP4F2 (0.43) MAPK1KDM4ECYP4F2CYP4A11
SCHEMBL28501410 0.76 PTGER2 (0.40) MAPK1MEN1KMT2AALDH1A1CYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100166819-A1 Transforming Growth Factor Modulators BIOGEN IDEC MA INC. A CORPORATION 2010-07-01 US disclosed
EP-1973914-A2 TRANSFORMING GROWTH FACTOR MODULATORS Biogen Idec MA Inc. (US) 2008-10-01 EP disclosed
WO-2007076086-A2 TRICYCLIC SPIRO COMPOUNDS USEFUL AS TRANSFORMING GROWTH FACTOR MODULATORS BIOGEN IDEC MA INC (US) 2007-07-05 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 (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-20100166819-A1 Transforming Growth Factor Modulators ACVR1, TGFBR1, ACVRL1 MAPK1 617/4885MEN1 1463/4885KMT2A 3729/4885

“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.