SCHEMBL16449776

SCHEMBL16449776

CC(C)C(=S)NCCN(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.54
▸ CA2 P00918 4/20 0.54
▸ CA12 O43570 3/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ PKM P14618 2/20 0.42
▸ POLB P06746 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ PRMT3 O60678 1/20 0.39
▸ CARM1 Q86X55 1/20 0.39
▸ PRMT6 Q96LA8 1/20 0.39
▸ PRMT1 Q99873 1/20 0.39
▸ PRMT8 Q9NR22 1/20 0.39
▸ DNM1 Q05193 1/20 0.36
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL16449775 0.87 HPGD (0.42) CA1CA2CA12CA9POLB
SCHEMBL16449772 0.78 KMT2A (0.42) CA1CA2CA12CA9POLB
SCHEMBL10486780 0.75 CA1 (0.62) CA1CA2CA12CA9PKM
SCHEMBL11291652 0.73 — —
SCHEMBL15615373 0.73 — —
SCHEMBL12708695 0.73 — —
SCHEMBL2624391 0.73 ALDH1A1 (0.46) CA1CA2CA12CA9PKM
SCHEMBL22072062 0.73 CA1 (0.43) CA1CA2CA12CA9PKM
SCHEMBL11450846 0.71 — —
SCHEMBL4519678 0.71 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745335-B2 N-substituted second generation derivatives of antifungal antibiotic amphotericin B and methods of their preparation and application BLIRT S.A. (PL) 2017-08-29 — — US disclosed
US-20170182049-A1 NOVEL THERAPEUTICS FOR BRAIN CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-06-29 — — US disclosed
US-20170182049-A1 NOVEL THERAPEUTICS FOR BRAIN CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-06-29 — — US disclosed
US-9447136-B2 Semisynthetic derivatives of Nystatin A1 BLIRT S.A. (PL) 2016-09-20 — — US disclosed
US-20150291648-A1 N-SUBSTITUTED SECOND GENERATION DERIVATIVES OF ANTIFUNGAL ANTIBIOTIC AMPHOTERICIN B AND METHODS OF THEIR PREPARATION AND APPLICATION BLIRT S.A. (PL) 2015-10-15 — — US disclosed
US-20150259326-A1 NOVEL THERAPEUTICS FOR BRAIN CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-09-17 — — US disclosed
US-20150045316-A1 SEMISYNTHETIC DERIVATIVES OF NYSTATIN A1 BLIRT S.A. (PL) 2015-02-12 — — 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 (4 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-20150259326-A1 NOVEL THERAPEUTICS FOR BRAIN CANCER ING2, GMFG, PLP2 CA1 429/4885CA2 1473/4885CA12 804/4885
US-20150045316-A1 SEMISYNTHETIC DERIVATIVES OF NYSTATIN A1 NPC1, NPC1L1, LSS CA1 4407/4885CA2 3977/4885CA12 4179/4885
US-20150291648-A1 N-SUBSTITUTED SECOND GENERATION DERIVATIVES OF ANTIFUNGAL ANTIBIOTIC AMPHOTERICIN B AND METHODS OF THEIR PREPARATION AND APPLICATION ERG28, LSS, NPC1 CA1 4780/4885CA2 3831/4885CA12 4088/4885
US-20170182049-A1 NOVEL THERAPEUTICS FOR BRAIN CANCER ING2, GMFG, PLP2 CA1 429/4885CA2 1473/4885CA12 804/4885

“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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