SCHEMBL21836209

SCHEMBL21836209

COC(=O)c1cnc(/C(C)=N/C(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.39
ALDH1A1 P00352 6/20 0.37
POLB P06746 3/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PKM P14618 1/20 0.37
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
RBBP9 O75884 1/20 0.36
MITF O75030 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL21836210 1.00 FFAR2 (0.39) FFAR2ALDH1A1POLBHPGDKDM4E
SCHEMBL21836228 0.89 HCAR2 (0.42) FFAR2ALDH1A1POLBHPGDKDM4E
SCHEMBL21836283 0.72 ALDH1A1 (0.42) FFAR2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL14164243 0.72 HCAR2 (0.50) FFAR2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL30664416 0.72 MAPK14 (0.47) MAPK1KMT2AMAPTMEN1
SCHEMBL21836245 0.71 RBBP9 (0.51) ALDH1A1LMNARBBP9MITFKMT2A
SCHEMBL21836242 0.71 RBBP9 (0.51) ALDH1A1LMNARBBP9MITFKMT2A
SCHEMBL21244224 0.70 CDC7 (0.41) FFAR2ALDH1A1HPGDKDM4EHSD17B10
SCHEMBL8562966 0.69 ALDH1A1 (0.62) ALDH1A1POLBHPGDKDM4EHSD17B10
SCHEMBL29096151 0.68 SMN1; SMN2 (0.48) ALDH1A1POLBHPGDKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210347769-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DAY ONE BIOPHARMACEUTICALS, INC. 2021-11-11 US disclosed
US-20210347769-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DAY ONE BIOPHARMACEUTICALS, INC. 2021-11-11 US disclosed
US-10988469-B2 Method for producing optically active compound DOT THERAPEUTICS-1, INC. (US) 2021-04-27 US disclosed
US-10988469-B2 Method for producing optically active compound DOT THERAPEUTICS-1, INC. (US) 2021-04-27 US disclosed
US-20200317659-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DAY ONE BIOPHARMACEUTICALS, INC. 2020-10-08 US disclosed
US-20200317659-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DAY ONE BIOPHARMACEUTICALS, INC. 2020-10-08 US disclosed
EP-3632441-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND Millennium Pharmaceuticals, Inc. (US) 2020-04-08 EP disclosed
EP-3632441-A2 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND Millennium Pharmaceuticals, Inc. (US) 2020-04-08 EP 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 (3 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-10988469-B2 Method for producing optically active compound DHPS, QDPR, SPR FFAR2 4259/4885ALDH1A1 1036/4885POLB 1836/4885
US-20200317659-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DHPS, QDPR, SPR FFAR2 4259/4885ALDH1A1 1036/4885POLB 1836/4885
US-20210347769-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DHPS, QDPR, SPR FFAR2 4259/4885ALDH1A1 1036/4885POLB 1836/4885

“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.