SCHEMBL4879178

SCHEMBL4879178

Sc1ccccc1C(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
SLC6A3 Q01959 3/20 0.42
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CFTR P13569 1/20 0.38
GOPC Q9HD26 1/20 0.38
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.36
HDAC8 Q9BY41 1/20 0.36
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL21380575 0.95 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KMT2AALDH1A1
SCHEMBL21380570 0.91 KMT2A (0.39) SLC6A2SLC6A4SLC6A3KMT2AALDH1A1
SCHEMBL901122 0.83 MAPT (0.36) MAPTHDAC8
SCHEMBL24550469 0.83 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3KMT2AALDH1A1
SCHEMBL29006614 0.81 ALDH1A1 (0.37) SLC6A2SLC6A4SLC6A3KMT2AALDH1A1
Trifluoromethanesulfonic Acid SCHEMBL2110849 0.80 ACP3 (0.40) KMT2AALDH1A1GAATDP1MAPT
Trifluoromethanesulfonic Acid SCHEMBL2422012 0.78 ACP3 (0.39) KMT2AALDH1A1GAATDP1MAPT
SCHEMBL6952701 0.78 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3KMT2AALDH1A1
SCHEMBL5844157 0.75 DPP4 (0.46) DPP4F2
SCHEMBL9575839 0.75 MEN1 (0.50) KMT2AGAATSHRL3MBTL1MAPT

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
US-7365091-B2 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of PHEX ENOBIA PHARMA (CA) 2008-04-29 US disclosed
WO-2007050135-A2 PROCESS FOR TREATING A BIOLOGICAL ORGANISM TECHNOLOGY INNOVATIONS, LLC (US) 2007-05-03 WO disclosed
US-20060287280-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of PHEX ENOBIA PHARMA (CA) 2006-12-21 US disclosed
US-7105539-B2 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex ENOBIA PHARMA (CA) 2006-09-12 US disclosed
US-20060135480-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex ENOBIA PHARMA (CA) 2006-06-22 US disclosed
US-7037916-B2 Pyrimidine derivatives as IL-8 receptor antagonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2006-05-02 US disclosed
EP-1572645-A2 DERIVATIVES OF SUCCINIC AND GLUTARIC ACIDS AND ANALOGS THEREOF USEFUL AS INHIBITORS OF PHEX Enobia Pharma Inc. (CA) 2005-09-14 EP disclosed
US-20040186301-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex BIOMEP INC. 2004-09-23 US disclosed
WO-2004062609-A2 PYRIMIDINE DERIVATIVES AS IL-8 RECEPTOR ANTAGONISTS PHARMACOPEIA, INC. (US) 2004-07-29 WO disclosed
WO-2004050620-A2 DERIVATIVES OF SUCCINIC AND GLUTARIC ACIDS AND ANALOGS THEREOF USEFUL AS INHIBITORS OF PHEX ENOBIA PHARMA (CA) 2004-06-17 WO disclosed
US-20040087601-A1 Pyrimidine derivatives as IL-8 receptor antagonists PHARMACOPEIA, LLC 2004-05-06 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 (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-20040087601-A1 Pyrimidine derivatives as IL-8 receptor antagonists CXCL8, IL1RN, IL18 SLC6A2 4281/4885SLC6A4 4078/4885SLC6A3 4355/4885
US-20060287280-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of PHEX GLS, SUCNR1, PGD SLC6A2 1660/4885SLC6A4 1531/4885SLC6A3 2958/4885
US-20040186301-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex GLS, SUCNR1, PGD SLC6A2 1770/4885SLC6A4 1569/4885SLC6A3 3063/4885
US-20060135480-A1 Derivatives of succinic and glutaric acids and analogs thereof useful as inhibitors of phex GLS, SUCNR1, GCDH SLC6A2 1678/4885SLC6A4 1602/4885SLC6A3 3040/4885

“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.