SCHEMBL7054058

SCHEMBL7054058

CCCCC(C(C)S)C(CCC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
FOLH1 Q04609 1/20 0.41
PLA2G2C Q5R387 1/20 0.40
AKR1B1 P15121 1/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
CA2 P00918 1/20 0.39
MAPK1 P28482 1/20 0.39
FFAR4 Q5NUL3 2/20 0.39
FFAR1 O14842 2/20 0.39
PPARG P37231 6/20 0.38
PPARD Q03181 6/20 0.38
PPARA Q07869 6/20 0.38
HDAC11 Q96DB2 5/20 0.38
TSHR P16473 4/20 0.38
GPR84 Q9NQS5 4/20 0.38
ALDH1A1 P00352 2/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38

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
SCHEMBL7055604 0.90 FOLH1 (0.44) CYP1A2FOLH1TSHRALDH1A1TDP1
SCHEMBL7054402 0.84 FOLH1 (0.45) CYP1A2FOLH1MAPTTSHRHSD17B10
SCHEMBL7053497 0.80 PLA2G2C (0.40) CYP1A2PLA2G2CAKR1B1MAPTKMT2A
SCHEMBL3707007 0.79 CYP1A2 (0.47) CYP1A2PLA2G2CAKR1B1KMT2ACA2
SCHEMBL7050217 0.78 FOLH1 (0.54) CYP1A2FOLH1MAPTTSHRHSD17B10
SCHEMBL4455845 0.76 CA2 (0.48) MAPTKMT2ACA2MAPK1FFAR1
SCHEMBL7049058 0.74 FOLH1 (0.50) CYP1A2FOLH1MAPTTSHRHSD17B10
SCHEMBL2232183 0.74 CA2 (0.47) PLA2G2CAKR1B1KMT2ACA2MAPK1
SCHEMBL5962529 0.72 FFAR1 (0.53) KMT2AFFAR4FFAR1PPARGPPARD
SCHEMBL5962617 0.72 FFAR1 (0.53) KMT2AFFAR4FFAR1PPARGPPARD

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 5 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-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 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 CYP1A2 4200/4885FOLH1 56/4885PLA2G2C 661/4885

“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.