SCHEMBL11887772

SCHEMBL11887772

O=C(O)CCSCCc1ccncc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 4/20 0.56
▸ CYP1A2 P05177 3/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ CYP2D6 P10635 3/20 0.56
▸ CYP2C9 P11712 3/20 0.56
▸ ALPG P10696 2/20 0.55
▸ HTT P42858 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ ALPL P05186 1/20 0.55
▸ ALPI P09923 1/20 0.55
▸ LMNA P02545 4/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ HSD17B10 Q99714 2/20 0.50
▸ FFAR1 O14842 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ MMP12 P39900 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ HIF1A Q16665 1/20 0.47

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
SCHEMBL5069416 0.85 MMP12 (0.64) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9260063 0.85 CYP2C19 (0.71) CYP2C19CYP1A2CYP2D6SMN1; SMN2LMNA
SCHEMBL18392033 0.84 ALDH1A1 (0.54) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10993407 0.84 CYP2C19 (0.70) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19514747 0.82 CYP1A2 (0.69) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL333186 0.81 FFAR1 (0.70) LMNAALDH1A1FFAR1TDP1KEAP1
SCHEMBL30732385 0.80 CYP1A2 (0.67) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL22922288 0.80 CYP1A2 (0.67) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL8937697 0.79 FFAR1 (0.68) LMNAALDH1A1FFAR1TDP1KEAP1
SCHEMBL26111039 0.79 FFAR1 (0.68) LMNAALDH1A1FFAR1TDP1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11701429-B2 Targeted drug delivery through affinity based linkers Akamara Therapeutics, Inc. (US) 2023-07-18 — — US disclosed
US-11701429-B2 Targeted drug delivery through affinity based linkers Akamara Therapeutics, Inc. (US) 2023-07-18 — — US disclosed
US-20200199249-A1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS Akamara Therapeutics, Inc. (US) 2020-06-25 — — US disclosed
US-10533059-B2 Targeted drug delivery through affinity based linkers Akamara Therapeutics, Inc. (US) 2020-01-14 — — US disclosed
US-20170014528-A1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS INVICTUS ONCOLOGY PVT. LTD. (IN) 2017-01-19 — — US disclosed
US-20170014528-A1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS INVICTUS ONCOLOGY PVT. LTD. (IN) 2017-01-19 — — US disclosed
WO-2015148126-A1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS INVICTUS ONCOLOGY PVT. LTD. (IN) 2015-10-01 — — WO disclosed
US-8785499-B2 Targeting NAD biosynthesis in bacterial pathogens UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-07-22 — — US disclosed
US-8785499-B2 Targeting NAD biosynthesis in bacterial pathogens UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-07-22 — — US disclosed
US-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2012-07-26 — — US disclosed
US-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2012-07-26 — — 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 (5 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-20170014528-A1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS ABCG2, ADAM8, TIE1 CYP2C19 1564/4885CYP1A2 2072/4885CYP3A4 884/4885
US-11701429-B2 Targeted drug delivery through affinity based linkers ABCG2, FCGR2A, ABCB1 CYP2C19 1680/4885CYP1A2 2069/4885CYP3A4 1428/4885
US-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS NAMPT, NAPRT, NADK CYP2C19 2699/4885CYP1A2 2285/4885CYP3A4 1987/4885
US-20200199249-A1 TARGETED DRUG DELIVERY THROUGH AFFINITY BASED LINKERS ABCG2, FCGR2A, ABCB1 CYP2C19 1680/4885CYP1A2 2069/4885CYP3A4 1428/4885
US-10533059-B2 Targeted drug delivery through affinity based linkers ABCG2, ADAM8, TIE1 CYP2C19 1564/4885CYP1A2 2072/4885CYP3A4 884/4885

“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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