SCHEMBL6900713

SCHEMBL6900713

Cc1ccc(S(=O)(=O)OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@H](Br)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPY2R P49146 1/20 0.32
MAPT P10636 2/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
PKM P14618 1/20 0.31
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CNR2 P34972 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL6900706 1.00 DHODH (0.32) DHODHALDH1A1NPY2RMAPTCYP3A4
SCHEMBL8169563 0.82 ALDH1A1 (0.44) ALDH1A1CYP2C19LMNACNR2POLB
SCHEMBL8169561 0.82 ALDH1A1 (0.44) ALDH1A1CYP2C19LMNACNR2POLB
SCHEMBL8169565 0.82 ALDH1A1 (0.44) ALDH1A1CYP2C19LMNACNR2POLB
SCHEMBL27898429 0.80 MEN1 (0.37) DHODHALDH1A1
SCHEMBL21329582 0.75 MEN1 (0.39) DHODHALDH1A1LMNA
SCHEMBL21329586 0.75 MEN1 (0.39) DHODHALDH1A1LMNA
SCHEMBL21330105 0.75 MEN1 (0.39) DHODHALDH1A1LMNA
SCHEMBL14953034 0.74 DHODH (0.35) DHODHALDH1A1NPSR1
SCHEMBL14953032 0.74 DHODH (0.35) DHODHALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6680311-B1 ANTICARCINOGENIC, ANTITUMOR AND ANTIPROLIFERATIVE AGENTS ELI LILLY AND COMPANY 2004-01-20 US disclosed
US-20020128185-A1 Pharmaceutical compounds HAWAII, UNIVERSITY OF 2002-09-12 US disclosed
US-6133457-A CRYPTOPHYCIN COMPOUNDS HAVING ANTIMICROTUBULE ACTIVITY; ANTIMETABOLITES ELI LILLY AND COMPANY (US) 2000-10-17 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 (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-20020128185-A1 Pharmaceutical compounds XPO5, XPOT, XPO1 DHODH 1310/4885ALDH1A1 4250/4885NPY2R 3769/4885

“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.