SCHEMBL7945558

SCHEMBL7945558

CC[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)OC(C)(C)C)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 12/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
UCHL1 P09936 1/20 0.39
CYP3A4 P08684 1/20 0.38
TACR3 P29371 1/20 0.38
ABCC1 P33527 1/20 0.37
ABCC2 Q92887 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
CTSB P07858 1/20 0.37

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
SCHEMBL5692638 0.97 MCL1 (0.40) MCL1KDM4EALDH1A1SMN1; SMN2UCHL1
SCHEMBL5692743 0.95 MCL1 (0.40) MCL1KDM4EALDH1A1SMN1; SMN2UCHL1
SCHEMBL14307115 0.95 MCL1 (0.40) MCL1KDM4EALDH1A1SMN1; SMN2UCHL1
SCHEMBL5692554 0.95 KDM4E (0.39) MCL1KDM4EALDH1A1SMN1; SMN2UCHL1
SCHEMBL5693283 0.90 ABCC1 (0.38) MCL1KDM4EALDH1A1SMN1; SMN2CYP3A4
SCHEMBL5693271 0.90 CYP3A4 (0.49) MCL1CYP3A4CTSB
SCHEMBL5693275 0.89 CYP3A4 (0.44) MCL1KDM4EALDH1A1SMN1; SMN2CYP3A4
SCHEMBL13521416 0.89 CYP3A4 (0.46) MCL1KDM4EALDH1A1SMN1; SMN2UCHL1
SCHEMBL5693290 0.89 ABCC1 (0.38) MCL1KDM4EALDH1A1SMN1; SMN2CYP3A4
SCHEMBL12325022 0.89 MCL1 (0.39) MCL1KDM4EALDH1A1SMN1; SMN2UCHL1

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-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 US disclosed
US-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-05-13 US disclosed
WO-2010045266-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-04-22 WO 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-20100119479-A1 THERAPEUTIC ANTIVIRAL PEPTIDES SARS1, VIP, MAVS MCL1 2223/4885KDM4E 4649/4885ALDH1A1 3982/4885

“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.