Sugi Predict

Sugi Predict / Compounds / SCHEMBL21836228

SCHEMBL21836228

SCHEMBL21836228

CC(=NC(c1ccccc1)c1ccccc1)c1ncc(C(=O)O)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 1/20 0.42
▸ ALDH1A1 P00352 5/20 0.37
▸ POLB P06746 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ FFAR2 O15552 1/20 0.36
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 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
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MITF O75030 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CCNE1 P24864 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ HDAC3 O15379 1/20 0.34

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 0.89 FFAR2 (0.39) ALDH1A1POLBPKMFFAR2NPC1
SCHEMBL21836209 0.89 FFAR2 (0.39) ALDH1A1POLBPKMFFAR2NPC1
SCHEMBL29096151 0.75 SMN1; SMN2 (0.48) ALDH1A1POLBPKMNPC1RAB9A
SCHEMBL30664416 0.74 MAPK14 (0.47) CCNE1CDK2MAPT
SCHEMBL21836245 0.72 RBBP9 (0.51) ALDH1A1CYP1A2CYP2C19MITFLMNA
SCHEMBL21836242 0.72 RBBP9 (0.51) ALDH1A1CYP1A2CYP2C19MITFLMNA
SCHEMBL600887 0.70 HCAR2 (0.61) HCAR2ALDH1A1POLBFFAR2NPC1
SCHEMBL1810308 0.68 HCAR2 (0.61) HCAR2ALDH1A1FFAR2NPC1RAB9A
SCHEMBL24036436 0.68 HCAR2 (0.57) HCAR2ALDH1A1POLBPKMFFAR2
SCHEMBL21836260 0.67 LMNA (0.44) ALDH1A1POLBCYP1A2CYP3A4SMN1; SMN2

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
CN-117447464-A Method for producing optically active compound 首日生物制药公司 2024-01-26 — — CN disclosed
CN-111032047-B Method for producing optically active compound 多特疗法-1公司 2023-10-27 — — CN 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-20200317659-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DAY ONE BIOPHARMACEUTICALS, INC. 2020-10-08 — — US disclosed
CN-111032047-A Process for producing optically active compound 千年制药公司 2020-04-17 — — CN 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 HCAR2 3810/4885ALDH1A1 1036/4885POLB 1836/4885
US-20200317659-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DHPS, QDPR, SPR HCAR2 3810/4885ALDH1A1 1036/4885POLB 1836/4885
US-20210347769-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND DHPS, QDPR, SPR HCAR2 3810/4885ALDH1A1 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.