SCHEMBL3551729

SCHEMBL3551729

COC(=O)[C@@H]1C[C@H](NC(=O)c2cccs2)[C@@H](O)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ ATM Q13315 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ RAB9A P51151 6/20 0.47
▸ NPC1 O15118 4/20 0.47
▸ HPGD P15428 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HDAC1 Q13547 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ APLNR P35414 1/20 0.41

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
SCHEMBL14568945 0.81 TSHR (0.60) TSHRHSD17B10ATML3MBTL1RAB9A
SCHEMBL3548699 0.79 F10 (0.59) TSHRMEN1KMT2AKDM4EF10
SCHEMBL3553304 0.79 F10 (0.59) TSHRMEN1KMT2AKDM4EF10
SCHEMBL2848504 0.72 CHRNB2 (0.53) GAATP53
SCHEMBL2848500 0.72 CHRNB2 (0.53) GAATP53
SCHEMBL2848501 0.72 CHRNB2 (0.53) GAATP53
SCHEMBL13436045 0.71 CHRNB2 (0.47) TSHRCYP2C19TP53SMN1; SMN2NPSR1
SCHEMBL13461935 0.70 CHRNB2 (0.46) TP53SMN1; SMN2
SCHEMBL825926 0.68 RAB9A (0.84) TSHRHSD17B10ATML3MBTL1RAB9A
SCHEMBL30516656 0.68 TSHR (0.49) TSHRHSD17B10ATML3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678917-B2 Factor Xa inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 — — US disclosed
US-7678917-B2 Factor Xa inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 — — US disclosed
US-7678917-B2 Factor Xa inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 — — US disclosed
US-20070049587-A1 Factor Xa inhibitors HOFFMANN-LA ROCHE INC. 2007-03-01 — — US disclosed
US-20070049587-A1 Factor Xa inhibitors HOFFMANN-LA ROCHE INC. 2007-03-01 — — US disclosed
US-20070049587-A1 Factor Xa inhibitors HOFFMANN-LA ROCHE INC. 2007-03-01 — — 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-20070049587-A1 Factor Xa inhibitors F12, F11, F10 TSHR 726/4885HSD17B10 3262/4885ATM 1573/4885

“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.

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