SCHEMBL2864616

SCHEMBL2864616

CCOc1ccc(Cc2ccc(C(=O)Cl)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 5/20 0.42
PLK1 P53350 1/20 0.42
GAA P10253 1/20 0.41
PARP10 Q53GL7 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NQO1 P15559 1/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.39

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
SCHEMBL2864886 0.89 KDM4E (0.49) SMN1; SMN2ALDH1A1KDM4ETSHRTP53
SCHEMBL2871096 0.87 KDM4E (0.47) SMN1; SMN2KDM4ETSHRTP53
SCHEMBL2863556 0.85 TP53 (0.48) SMN1; SMN2KDM4ETSHRTP53
SCHEMBL2867918 0.85 TP53 (0.48) SMN1; SMN2KDM4ETSHRTP53
SCHEMBL2863521 0.83 MEN1 (0.40) POLBSMN1; SMN2ALDH1A1KDM4ERAB9A
SCHEMBL2866272 0.82 POLB (0.46) POLBSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL2865230 0.82 NR4A2 (0.52) NPC1HPGDPARP10CYP2C19
SCHEMBL2872180 0.82 POLB (0.48) POLBKDM4ENPC1RAB9AMAPK1
SCHEMBL2861341 0.81 PTPN1 (0.47) POLBSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL27703308 0.80 POLB (0.45) POLBSMN1; SMN2ALDH1A1NPC1RAB9A

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-7691898-B2 Phosphonic acid derivatives and the treating agents of diseases related hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2010-04-06 US disclosed
US-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia KOTOBUKI PHARMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
CN-101072783-A Phosphonic acid derivative and therapeutic agent for disease in which high phosphate level in blood participates KOTOBUKI PHARMACEUTICAL CO LTD (JP) 2007-11-14 CN disclosed
EP-1813620-A1 PHOSPHONIC ACID DERIVATIVE AND THERAPEUTIC AGENT FOR DISEASE IN WHICH HIGH PHOSPHATE LEVEL IN BLOOD PARTICIPATES Kotobuki Pharmaceutical Co., Ltd. (JP) 2007-08-01 EP 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-20080119441-A1 Phosphonic Acid Derivatives and the Treating Agents of Diseases Related Hyperphosphatemia NR0B1, NR0B2, PTH1R POLB 2456/4885SMN1; SMN2 3235/4885ALDH1A1 3773/4885

“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.