SCHEMBL7053699

SCHEMBL7053699

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

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FOLH1 Q04609 1/20 0.34
BCHE P06276 1/20 0.34
GAA P10253 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRM8 O00222 1/20 0.33
GRM4 Q14833 1/20 0.33
EPHX2 P34913 1/20 0.33
ACE P12821 1/20 0.32
FFAR1 O14842 1/20 0.32
KCNA5 P22460 2/20 0.32
CYP17A1 P05093 1/20 0.32
TBXAS1 P24557 1/20 0.32

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
SCHEMBL7051893 0.87 ACE (0.40) LMNAFOLH1CYP1A2CYP2C19ACE
SCHEMBL7050992 0.83 CYP1A2 (0.36) NAPRTFOLH1BCHECYP1A2GRM8
SCHEMBL7052422 0.80 NAPRT (0.34) NAPRTHTTLMNASMN1; SMN2BCHE
SCHEMBL7047144 0.80 LMNA (0.34) HTTLMNASMN1; SMN2FOLH1BCHE
SCHEMBL7052342 0.78 NAPRT (0.35) NAPRTLMNAFOLH1BCHEGAA
SCHEMBL7048106 0.78 NAPRT (0.35) NAPRTBCHEGAACYP1A2CYP2C9
SCHEMBL7053138 0.77 CA2 (0.33) NAPRTLMNABCHECYP1A2CYP2C9
SCHEMBL7050154 0.77 CYP1A2 (0.37) NAPRTBCHEGAACYP1A2CYP2C9
Hydrochloric Acid SCHEMBL6725570 0.76 NAPRT (0.44) NAPRTHTTLMNASMN1; SMN2GAA
SCHEMBL7053875 0.75 ITGB3 (0.38) LMNACYP1A2CYP2C9CYP2C19TBXAS1

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 NAPRT 124/4885HTT 4069/4885LMNA 4026/4885

“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.