SCHEMBL2900888

SCHEMBL2900888

CC1(C(=O)Nc2ncc(-c3ccccc3)s2)CC1(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 3/20 0.55
▸ GSTO1 P78417 1/20 0.52
▸ CCNE1 P24864 1/20 0.51
▸ CDK2 P24941 1/20 0.51
▸ CDK5 Q00535 1/20 0.51
▸ SCD O00767 1/20 0.51
▸ MKNK1 Q9BUB5 1/20 0.51
▸ OTUD7B Q6GQQ9 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ ACP1 P24666 1/20 0.49
▸ CNR1 P21554 1/20 0.48
▸ USP30 Q70CQ3 3/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ FFAR2 O15552 1/20 0.46
▸ WNT3A P56704 1/20 0.45
▸ UCHL1 P09936 1/20 0.44

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
SCHEMBL2901349 0.85 PKM (0.67) LMNAPKMMEN1KMT2A
SCHEMBL2901447 0.84 PKM (0.50) KDRCCNE1CDK2CDK5LMNA
SCHEMBL2893464 0.77 NR3C1 (0.54) CDK2LMNAMEN1KMT2A
SCHEMBL2901205 0.76 ELOVL1 (0.60) GSTO1SCDOTUD7BLMNAMEN1
SCHEMBL2901610 0.76 RAB9A (0.54) LMNAPKMMEN1KMT2A
SCHEMBL5840422 0.75 KDR (0.72) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL2901409 0.75 NPC1 (0.72) SCDLMNACNR1MEN1KMT2A
SCHEMBL2891926 0.74 MAPT (0.55) LMNAPKMACP1MEN1KMT2A
SCHEMBL5356919 0.74 KDR (0.52) KDRGSTO1CCNE1CDK2CDK5
SCHEMBL2899525 0.73 NPC1 (0.54) SCDMEN1KMT2A

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-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 — — US disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 — — US disclosed
US-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 — — US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 — — US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 — — US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 — — 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-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKB2, NFKBIA KDR 4313/4885GSTO1 712/4885CCNE1 2257/4885

“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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