SCHEMBL5848847

SCHEMBL5848847

ClC(COCc1ccccc1)OBOC(Cl)COCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
CA1 P00915 4/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
TACR1 P25103 5/20 0.46
SLC1A1 P43005 1/20 0.41
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
AGER Q15109 1/20 0.38
HTT P42858 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
SCHEMBL8194993 0.76 EPHX1 (0.43) TSHRCYP1A2CYP2D6
SCHEMBL29184246 0.75 CA1 (0.56) TSHRCA1CA2CA7CA9
SCHEMBL19496903 0.75 CA1 (0.61) TSHRCA1CA2CA7CA9
SCHEMBL21848157 0.73 TSHR (0.67) TSHRCA1CA2CA7CA9
SCHEMBL23674403 0.72 CA1 (0.53) TSHRCA1CA2CA7CA9
SCHEMBL6379461 0.72 CA1 (0.53) TSHRCA1CA2CA7CA9
SCHEMBL3665423 0.72 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL10744312 0.72 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL17789130 0.72 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL10463016 0.71 TSHR (0.56) TSHRCA1CA2CA7CA9

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 4580/4885CA1 1492/4885CA2 1416/4885
US-20040171556-A1 Methods for inhibiting proteasome PSMB1, PSMB11, PSMG3 TSHR 4048/4885CA1 2793/4885CA2 4301/4885

“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.