SCHEMBL7051969

SCHEMBL7051969

CC(S)CC(C(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.44
CYP2D6 P10635 1/20 0.43
SRC P12931 1/20 0.43
APAF1 O14727 1/20 0.43
POLB P06746 1/20 0.42
ACE P12821 1/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
EPHX1 P07099 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
SCHEMBL1716112 0.84 CYP2C19 (0.53) CYP2C19SMN1; SMN2CYP2D6SRCAPAF1
SCHEMBL7047206 0.84 LMNA (0.41) CYP2C19SMN1; SMN2POLBLMNA
SCHEMBL7973743 0.83 CYP2C19 (0.61) CYP2C19SMN1; SMN2CYP2D6SRCPOLB
SCHEMBL2872818 0.82 APAF1 (0.53) CYP2C19SMN1; SMN2CYP2D6SRCAPAF1
SCHEMBL27659178 0.82 CYP2C19 (0.52) CYP2C19SMN1; SMN2CYP2D6SRCAPAF1
SCHEMBL8584375 0.81 CYP2C19 (0.47) CYP2C19SMN1; SMN2CYP2D6SRCAPAF1
SCHEMBL8583905 0.81 CYP2C19 (0.50) CYP2C19SMN1; SMN2CYP2D6SRCAPAF1
SCHEMBL10150939 0.79 CYP2C19 (0.57) CYP2C19SMN1; SMN2CYP2D6SRCPOLB
SCHEMBL18098108 0.79 CYP2C19 (0.49) CYP2C19SMN1; SMN2APAF1POLBLMNA
SCHEMBL29010048 0.78 CYP2C19 (0.47) CYP2C19SMN1; SMN2POLBLMNA

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-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 US claimed
US-20030064912-A1 Pharmaceutical compositions and methods of inhibiting angiogenesis using NAALADase inhibitors SLUSHER BARBARA S (US) 2003-04-03 US disclosed
US-6395718-B1 RHEUMATIC DISEASES; ANTIARTHRITIC AGENTS; CARDIOVASCULAR DISORDERS GUILFORD PHARMACEUTICALS INC. 2002-05-28 US disclosed
US-6265609-B1 INHIBIT N-ACETYLATED .ALPHA.-LINKED ACIDIC DIPEPTIDASE (NAALADASE) ENZYME ACTIVITY; IN DRUGS TO TREAT GLUTAMATE ABNORMALITIES; COMPULSIVE DISORDERS AND PROSTATE DISEASES, TO EFFECT NEURONAL ACTIVITIES GUILFORD PHARMACEUTICALS INC. 2001-07-24 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 (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-20030064912-A1 Pharmaceutical compositions and methods of inhibiting angiogenesis using NAALADase inhibitors NAALAD2, DNPEP, DPP9 CYP2C19 3044/4885SMN1; SMN2 3612/4885CYP2D6 3489/4885

“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.