SCHEMBL5848836

SCHEMBL5848836

ClCCOCc1ccccc1.OBO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
ALDH1A1 P00352 2/20 0.42
NAAA Q02083 1/20 0.42
CA1 P00915 3/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
LTA4H P09960 1/20 0.40
IDO1 P14902 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AGXT P21549 1/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL2473034 0.92 TSHR (0.64) TSHRALDH1A1NAAACA1CA2
SCHEMBL6267162 0.88 TSHR (0.58) TSHRALDH1A1NAAACA1CA2
SCHEMBL5726273 0.88 TSHR (0.58) TSHRALDH1A1NAAACA1CA2
SCHEMBL2565864 0.83 TSHR (0.79) TSHRALDH1A1CA1CA2CA7
SCHEMBL14673871 0.82 TSHR (0.56) TSHRALDH1A1NAAACA1CA2
SCHEMBL9671825 0.80 TSHR (0.43) TSHRNAAALTA4HIDO1TDP1
SCHEMBL1001167 0.79 TSHR (0.58) TSHRALDH1A1NAAALTA4HIDO1
SCHEMBL1991359 0.78 TSHR (0.78) TSHRNAAACA1CA2CA7
SCHEMBL8998380 0.78 TSHR (0.56) TSHRALDH1A1NAAALTA4HIDO1
SCHEMBL3488296 0.78 TSHR (0.56) TSHRNAAALTA4HIDO1TDP1

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-7122627-B2 Lactam inhibitors of Hepatitis C virus NS3 protease BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-17 US disclosed
US-20040171556-A1 Methods for inhibiting proteasome BRISTOL-MYERS SQUIBB COMPANY 2004-09-02 US disclosed
WO-2004064755-A2 METHODS FOR INHIBITING PROTEASOME BRISTOL-MYERS SQUIBB COMPANY (US) 2004-08-05 WO disclosed
US-20030008828-A1 Diagnostic kits; for therapy of viral infection; as assat standard or reagent BRISTOL-MYERS SQUIBB COMPANY 2003-01-09 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 (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-20030008828-A1 Diagnostic kits; for therapy of viral infection; as assat standard or reagent PRSS3, PRSS1, PREP TSHR 4580/4885ALDH1A1 258/4885NAAA 105/4885
US-20040171556-A1 Methods for inhibiting proteasome PSMB1, PSMB11, PSMG3 TSHR 4048/4885ALDH1A1 3262/4885NAAA 3393/4885

“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.