SCHEMBL3249226

SCHEMBL3249226

c1csc(-c2ccc3c(c2)OCO3)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB2 Q9UBS0 2/20 0.57
TNFRSF1A P19438 1/20 0.51
KCNH2 Q12809 1/20 0.49
MAPT P10636 4/20 0.47
RAB9A P51151 3/20 0.47
SLC6A9 P48067 1/20 0.46
HSD17B10 Q99714 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 6/20 0.46
TP53 P04637 4/20 0.46
KMT2A Q03164 3/20 0.46
CYP2D6 P10635 3/20 0.46
TSHR P16473 3/20 0.46
MAPK1 P28482 3/20 0.46
CYP2C19 P33261 3/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 5/20 0.46

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
SCHEMBL2368664 0.89 RPS6KB2 (0.57) RPS6KB2KCNH2MAPTRAB9ASLC6A9
SCHEMBL8190730 0.80 KCNH2 (0.44) RPS6KB2TNFRSF1AKCNH2MAPTRAB9A
SCHEMBL8190732 0.79 KCNH2 (0.42) RPS6KB2TNFRSF1AKCNH2SLC6A9HSD17B10
SCHEMBL14082889 0.76 SMN1; SMN2 (0.66) MAPTRAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL153244 0.75 DYRK1A (0.53) RPS6KB2KCNH2MAPTRAB9ASLC6A9
SCHEMBL2692579 0.72 CA12 (0.59) MAPTRAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL29629010 0.72 PTGS2 (0.58) MAPTRAB9ASMN1; SMN2ALDH1A1KMT2A
SCHEMBL9784218 0.72 CTNNB1 (0.50) RPS6KB2KCNH2MAPTRAB9ASLC6A9
SCHEMBL22162812 0.72 CA12 (0.58) MAPTRAB9AHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL25093334 0.71 SMN1; SMN2 (0.44) MAPTRAB9AHSD17B10SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373262-B1 AZACYCLOALKYL SUBSTITUTED ACETIC ACID DERIVATIVES FOR USE AS MMP INHIBITORS NOVARTIS AG (CH) 2010-05-12 EP disclosed
US-20070060569-A1 Azacycloalkyl substituted acetic acid derivatives for use as MMP inhibitors NOVARTIS AG (CH) 2007-03-15 US disclosed
US-20040235896-A1 Certain azacycloalkyl substituted acetic acid derivatives FUJIMOTO ROGER AKI (US) 2004-11-25 US disclosed
EP-1373262-A2 AZACYCLOALKYL SUBSTITUTED ACETIC ACID DERIVATIVES FOR USE AS MMP INHIBITORS Novartis AG (CH) 2004-01-02 EP disclosed
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-27 US disclosed
US-6489324-B2 TREATING STROKE, ARHTRITIS, CANCER, TISSUE ULCERATION, DECUBITIS ULCER, RESTENOSIS, PERIODONTAL DISEASE, EPIDERMOLYSIS BULLOSA, SCLERITIS, PSORIASIS, AIDS, SEPSIS, AND SEPTIC SHOCK. FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-03 US disclosed
WO-2002072577-A2 AZACYCLOALKYL SUBSTITUTED ACETIC ACID DERIVATIVES FOR USE AS MMP INHIBITORS. NOVARTIS AG (CH) 2002-09-19 WO disclosed
US-20020128270-A1 Piperazine compounds as inhibitors of MMP or TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-12 US disclosed
US-6333324-B1 FOR THERAPY AND PROPHYLAXIS OF MATRIX METALLOPROTEINASES (MMP) OR TUMOR NECROSIS FACTOR .ALPHA. (TNF.ALPHA.), MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-25 US disclosed
EP-0948489-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-13 EP disclosed
WO-1998027069-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-25 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 (4 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-20070060569-A1 Azacycloalkyl substituted acetic acid derivatives for use as MMP inhibitors MMP9, MMP1, MMP13 RPS6KB2 3803/4885TNFRSF1A 627/4885KCNH2 2158/4885
US-20040235896-A1 Certain azacycloalkyl substituted acetic acid derivatives MMP1, MMP9, MMP13 RPS6KB2 4041/4885TNFRSF1A 686/4885KCNH2 2411/4885
US-20020128270-A1 Piperazine compounds as inhibitors of MMP or TNF MMP1, MMP2, TNF RPS6KB2 2264/4885TNFRSF1A 22/4885KCNH2 3113/4885
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF RPS6KB2 2196/4885TNFRSF1A 22/4885KCNH2 2704/4885

“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.