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Sugi Predict / Compounds / SCHEMBL4013046

SCHEMBL4013046

SCHEMBL4013046

O=C(NCc1ccc(F)cc1)c1ccc(S(=O)(=O)n2nc(N3CCCCC3)c3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ CXCR4 P61073 1/20 0.48
▸ NAMPT P43490 5/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ CTNNB1 P35222 1/20 0.45
▸ TCF7L2 Q9NQB0 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PTGER4 P35408 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 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
SCHEMBL4013097 0.91 TP53 (0.55) ALDH1A1SMN1; SMN2CXCR4NAMPTMEN1
SCHEMBL4006291 0.83 CXCR4 (0.53) ALDH1A1CXCR4MEN1KMT2AMAPT
SCHEMBL4013129 0.82 ALDH1A1 (0.48) ALDH1A1CXCR4MEN1KMT2AMAPT
SCHEMBL4012307 0.81 CXCR4 (0.53) ALDH1A1CXCR4LMNAPTGER4
SCHEMBL4007300 0.81 CXCR4 (0.53) ALDH1A1CXCR4MEN1KMT2AMAPT
SCHEMBL30797875 0.81 HTR6 (0.59) ALDH1A1CXCR4NAMPTMEN1KMT2A
SCHEMBL1413320 0.81 HTR6 (0.59) ALDH1A1CXCR4NAMPTMEN1KMT2A
SCHEMBL4002900 0.79 CCR1 (0.49) ALDH1A1CXCR4NAMPTPOLBLMNA
SCHEMBL13689663 0.75 CXCR4 (0.44) ALDH1A1CXCR4PTGER4
SCHEMBL1413693 0.74 ALDH1A1 (0.50) ALDH1A1CXCR4NAMPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 — — US disclosed
US-7595339-B2 CB1 modulator compounds ELI LILLY AND COMPANY (US) 2009-09-29 — — US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 — — US disclosed
US-20080287504-A1 CB1 MODULATOR COMPOUNDS ALLEN JENNIFER REBECCA 2008-11-20 — — US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 — — US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 — — US disclosed
US-7276516-B2 CB1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-10-02 — — US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 — — US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 — — US disclosed
US-20070088018-A1 Cb1 antagonist compounds ELI LILLY AND COMPANY (US) 2007-04-19 — — 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 (2 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-20070088018-A1 Cb1 antagonist compounds CNR1, CNR2, CHRNA5 ALDH1A1 3227/4885SMN1; SMN2 546/4885CXCR4 690/4885
US-20080287504-A1 CB1 MODULATOR COMPOUNDS CNR1, CNR2, MAG ALDH1A1 3181/4885SMN1; SMN2 628/4885CXCR4 768/4885

“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.