Sugi Predict

Sugi Predict / Compounds / SCHEMBL2373009

SCHEMBL2373009

SCHEMBL2373009

C[C@H]1C[C@@H](C(=O)Nc2ccc(Br)cc2Br)N(C(=O)OC(C)(C)C)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ LMNA P02545 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ABL1 P00519 4/20 0.43
▸ BCR P11274 4/20 0.43
▸ USP30 Q70CQ3 2/20 0.42
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GPR119 Q8TDV5 1/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ HTRA1 Q92743 1/20 0.38
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 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
SCHEMBL2373004 1.00 CYP1A2 (0.55) CYP1A2POLBCYP3A4CYP2C19LMNA
SCHEMBL2373909 0.92 CYP1A2 (0.55) CYP1A2POLBCYP3A4CYP2C19LMNA
SCHEMBL2373906 0.92 CYP1A2 (0.55) CYP1A2POLBCYP3A4CYP2C19LMNA
SCHEMBL2409650 0.80 CYP1A2 (0.49) CYP1A2POLBCYP3A4CYP2C19LMNA
SCHEMBL24330329 0.79 USP30 (0.48) ABL1USP30MEN1KMT2AGPR119
SCHEMBL29584699 0.79 USP30 (0.48) ABL1USP30MEN1KMT2AGPR119
SCHEMBL15346388 0.79 CYP1A2 (0.44) CYP1A2POLBCYP3A4CYP2C19LMNA
SCHEMBL16765964 0.78 CYP1A2 (0.49) CYP1A2POLBCYP3A4CYP2C19LMNA
SCHEMBL25225335 0.77 CYP1A2 (0.48) CYP1A2POLBCYP3A4CYP2C19ABL1
SCHEMBL23885136 0.77 CYP1A2 (0.48) CYP1A2POLBCYP3A4CYP2C19ABL1

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-20130085150-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-04 — — US disclosed
US-20130085150-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-04 — — US disclosed
US-20130085150-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-04 — — US disclosed
EP-2550262-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS Vertex Pharmaceuticals Incorporated (US) 2013-01-30 — — EP disclosed
WO-2011119858-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-29 — — WO disclosed
WO-2011119858-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-29 — — 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-20130085150-A1 ANALOGUES FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS BLVRB, C1QBP, RRP1B CYP1A2 1328/4885POLB 1687/4885CYP3A4 1488/4885

“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.