SCHEMBL4290341

SCHEMBL4290341

C[C@@H](O)[C@@H](CCCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.50
KMT2A Q03164 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LMNA P02545 1/20 0.48
PKM P14618 1/20 0.48
NPC1 O15118 1/20 0.47
CASP3 P42574 1/20 0.47
RAB9A P51151 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL6192793 1.00 GRIK1 (0.50) GRIK1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL17510916 1.00 GRIK1 (0.50) GRIK1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL24252168 1.00 GRIK1 (0.50) GRIK1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL3252245 0.88 GRIK1 (0.51) GRIK1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL28014450 0.87 GRIK1 (0.57) GRIK1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL18022845 0.87 GRIK1 (0.48) GRIK1KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL29015070 0.84 TRPA1 (0.51) KMT2ACYP2D6CYP2C9CYP2C19HPGD
SCHEMBL6190476 0.84 KMT2A (0.48) KMT2ACYP2D6CYP2C9CYP2C19LMNA
SCHEMBL16149006 0.84 KMT2A (0.48) KMT2ACYP2D6CYP2C9CYP2C19LMNA
SCHEMBL16156176 0.84 KMT2A (0.48) KMT2ACYP2D6CYP2C9CYP2C19LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10472391-B2 Methods and compositions using ADAM10 inhibitors to treat bacterial infections THE UNIVERSITY OF CHICAGO (US) 2019-11-12 US disclosed
US-10472391-B2 Methods and compositions using ADAM10 inhibitors to treat bacterial infections THE UNIVERSITY OF CHICAGO (US) 2019-11-12 US disclosed
US-20160052964-A1 METHODS AND COMPOSITIONS USING ADAM10 INHIBITORS TO TREAT BACTERIAL INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2016-02-25 US disclosed
WO-2014165746-A1 METHODS AND COMPOSITIONS USING ADAM10 INHIBITORS TO TREAT BACTERIAL INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2014-10-09 WO disclosed
WO-2014165746-A1 METHODS AND COMPOSITIONS USING ADAM10 INHIBITORS TO TREAT BACTERIAL INFECTIONS THE UNIVERSITY OF CHICAGO (US) 2014-10-09 WO disclosed
US-8247451-B2 ADAM10 and its uses related to infection VANDERBILT UNIVERSITY (US) 2012-08-21 US disclosed
US-20090220514-A1 ADAM10 and its Uses Related to Infection VANDERBILT UNIVERSITY 2009-09-03 US disclosed
EP-1984500-A2 ADAM10 AND ITS USES RELATED TO INFECTION VANDERBILT UNIVERSITY (US) 2008-10-29 EP disclosed
WO-2007084488-A2 ADAM10 AND ITS USES RELATED TO INFECTION VANDERBILT UNIVERSITY (US) 2007-07-26 WO disclosed
EP-1121118-A4 FORMAMIDES AS THERAPEUTIC AGENTS GLAXO GROUP LTD (GB) 2002-09-11 EP disclosed
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed
EP-1121118-A1 FORMAMIDES AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2001-08-08 EP disclosed
US-6172064-B1 METALLOPROTEASE INHIBITOR; ANTIARTHRITIC AGENTS, ANTIDIABETIC AGENTS; ANTITUMOR AGENTS GLAXO WELLCOME INC. 2001-01-09 US disclosed
WO-2000012083-A1 FORMAMIDES AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2000-03-09 WO disclosed
WO-2000012082-A1 FORMAMIDE COMPOUNDS AS THERAPEUTIC AGENTS GLAXO GROUP LIMITED (GB) 2000-03-09 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 (3 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-20160052964-A1 METHODS AND COMPOSITIONS USING ADAM10 INHIBITORS TO TREAT BACTERIAL INFECTIONS ADAM10, ADAM17, ADAM9 GRIK1 2116/4885KMT2A 3953/4885CYP2D6 4314/4885
US-10472391-B2 Methods and compositions using ADAM10 inhibitors to treat bacterial infections ADAM10, ADAM17, ADAM9 GRIK1 2116/4885KMT2A 3953/4885CYP2D6 4314/4885
US-20090220514-A1 ADAM10 and its Uses Related to Infection ADAM10, ADAM12, ADAM17 GRIK1 2530/4885KMT2A 4376/4885CYP2D6 4277/4885

“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.