SCHEMBL7050992

SCHEMBL7050992

CC(c1ccncc1)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 0.36
FOLH1 Q04609 1/20 0.36
BCHE P06276 1/20 0.36
GRM8 O00222 1/20 0.35
GRM4 Q14833 1/20 0.35
EPHX2 P34913 1/20 0.34
MME P08473 4/20 0.33
NAPRT Q6XQN6 1/20 0.33
FFAR1 O14842 1/20 0.33
TBXAS1 P24557 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
CPB2 Q96IY4 1/20 0.33
USP5 P45974 1/20 0.33
CPA3 P15088 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33

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
SCHEMBL7049937 0.87 MME (0.44) CYP1A2MMECPA3
SCHEMBL7053699 0.83 NAPRT (0.35) CYP1A2FOLH1BCHEGRM8GRM4
SCHEMBL7049052 0.81 FOLH1 (0.35) CYP1A2FOLH1BCHEGRM8GRM4
SCHEMBL27498071 0.75 BCHE (0.43) CYP1A2BCHEGRM8GRM4EPHX2
SCHEMBL7615307 0.74 BCHE (0.36) CYP1A2FOLH1BCHEGRM8GRM4
SCHEMBL4128071 0.74 PRCP (0.42) GRM8GRM4NAPRTAKR1C3AKR1C2
SCHEMBL7055698 0.74 CYP1A2 (0.33) CYP1A2BCHEGRM8GRM4NAPRT
SCHEMBL7050280 0.74 CPA3 (0.44) CYP1A2FOLH1BCHENAPRTFFAR1
SCHEMBL7649639 0.72 BCHE (0.40) CYP1A2FOLH1BCHEGRM8GRM4
SCHEMBL8679797 0.72 FOLH1 (0.45) CYP1A2FOLH1BCHEGRM8GRM4

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 4200/4885FOLH1 56/4885BCHE 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.