SCHEMBL7055698

SCHEMBL7055698

CC(C(c1ccncc1)C(CCC(=O)O)C(=O)O)S(=O)(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.33
HPGD P15428 2/20 0.33
BCHE P06276 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GRM8 O00222 1/20 0.33
GRM4 Q14833 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
FFAR1 O14842 1/20 0.31
KCNA5 P22460 2/20 0.31
TBXAS1 P24557 2/20 0.31
NAPRT Q6XQN6 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
ADAMTS4 O75173 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 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
SCHEMBL7053428 0.88 SRC (0.42) CYP1A2HPGDALDH1A1CYP2C19FFAR1
SCHEMBL7053113 0.85 LMNA (0.33) CYP1A2BCHEALDH1A1GRM8GRM4
SCHEMBL7050154 0.76 CYP1A2 (0.37) CYP1A2HPGDBCHEALDH1A1GRM8
SCHEMBL7048106 0.75 NAPRT (0.35) CYP1A2HPGDBCHEGRM8GRM4
SCHEMBL7050992 0.74 CYP1A2 (0.36) CYP1A2BCHEGRM8GRM4FFAR1
SCHEMBL7052422 0.74 NAPRT (0.34) CYP1A2BCHEALDH1A1GRM8GRM4
SCHEMBL7050211 0.72 SRC (0.41) CYP1A2HPGDALDH1A1CYP2C19FFAR1
SCHEMBL7049026 0.72 CYP1A2 (0.45) CYP1A2GRM8GRM4
SCHEMBL27498071 0.72 BCHE (0.43) CYP1A2BCHEALDH1A1GRM8GRM4
SCHEMBL7053138 0.71 CA2 (0.33) CYP1A2BCHEALDH1A1GRM8GRM4

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 CYP1A2 4200/4885HPGD 474/4885BCHE 730/4885

“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.