SCHEMBL5757920

SCHEMBL5757920

[c]1c(OCc2nccs2)ccc2c1[nH]c1ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
TDO2 P48775 1/20 0.36
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
KMT2A Q03164 2/20 0.34
CHRM2 P08172 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34

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
SCHEMBL5759345 0.81 HSD17B10 (0.37) TDO2RAB9AMEN1NPC1KMT2A
SCHEMBL6239562 0.79 MAOA (0.43) SMN1; SMN2HSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL5759399 0.77 MEN1 (0.35) TDO2RAB9AMEN1NPC1KMT2A
SCHEMBL5756740 0.76 GABRA1 (0.39) TDO2RAB9AMEN1NPC1KMT2A
SCHEMBL5759048 0.72 TSHR (0.40) SIGMAR1MEN1KMT2ATUBB4ATUBB
SCHEMBL5759521 0.70 CHRM2 (0.38) SIGMAR1TDO2RAB9AMEN1NPC1
SCHEMBL6897737 0.70 ALDH1A1 (0.45) MEN1KMT2ASMN1; SMN2HSD17B10CYP1A2
SCHEMBL5757761 0.67 SLC6A3 (0.37) CHRM2CHRM1CHRM3SMN1; SMN2CYP3A4
SCHEMBL328963 0.67 ALDH1A1 (0.41) RAB9AMEN1NPC1KMT2ARXFP1
SCHEMBL31623779 0.65 GABRP (0.46) MEN1NPC1KMT2ASMN1; SMN2HSD17B10

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104403-B1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PROD INC (US) 2006-05-10 EP disclosed
US-20050215549-A1 TACE inhibitors MCCLURE KIM F 2005-09-29 US disclosed
EP-1104412-B1 TACE INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP disclosed
US-20030181441-A1 TACE INHIBITORS McCLURE Kim (US) 2003-09-25 US disclosed
US-6329397-B1 TREATMENT OF A CONDITION SELECTED FROM THE GROUP CONSISTING OF ARTHRITIS, CANCER, AND OTHER DISEASES CHARACTERIZED BY MATRIX METALLOPROTEINASE OR MAMMALIAN REPROLYSIN ACTIVITY. PFIZER 2001-12-11 US disclosed
EP-1104412-A1 TACE INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009492-A1 TACE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO 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 (2 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-20030181441-A1 TACE INHIBITORS ADAMTS5, ADAMTS1, MMP2 SIGMAR1 219/4885TDO2 3537/4885RAB9A 399/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 SIGMAR1 155/4885TDO2 2940/4885RAB9A 502/4885

“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.