Sugi Predict

Sugi Predict / Compounds / SCHEMBL3718043

SCHEMBL3718043

SCHEMBL3718043

C[C@@H](C(=O)O)N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.50
▸ CYP3A4 P08684 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ AAK1 Q2M2I8 1/20 0.40
▸ KCNA5 P22460 1/20 0.39
▸ HIF1A Q16665 1/20 0.38

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
SCHEMBL3714585 1.00 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRCYP2C19SMN1; SMN2
SCHEMBL715038 1.00 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRCYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL18812867 0.98 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRCYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL3929865 0.98 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRCYP2C19SMN1; SMN2
Hydrochloric Acid SCHEMBL25405355 0.98 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRCYP2C19SMN1; SMN2
SCHEMBL20855429 0.92 ALDH1A1 (0.44) ALDH1A1CYP3A4TSHRCYP2C19SMN1; SMN2
SCHEMBL3967181 0.83 SLC6A9 (0.40) ALDH1A1RAB9AKMT2A
SCHEMBL13223389 0.83 SLC6A9 (0.40) ALDH1A1RAB9AKMT2A
SCHEMBL1133814 0.83 — —
SCHEMBL14100030 0.83 SLC6A9 (0.40) ALDH1A1RAB9AKMT2A

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 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3966226-B1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AG (DE) 2025-12-24 — — EP disclosed
US-12503491-B2 MASP inhibitory compounds and uses thereof BAYER AKTIENGESELLSCHAFT (DE) 2025-12-23 — — US disclosed
CN-114585637-B MASP-inhibitory compounds and uses thereof 拜耳公司 2025-04-15 — — CN disclosed
US-20240124439-A1 Pyrido[2,3-D]Imidazole Derivatives and Their Use As Inhibitors of ITK for the Treatment of Skin Disease PFIZER INC. (US) 2024-04-18 — — US disclosed
US-20240124522-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2024-04-18 — — US disclosed
CN-110845482-B Process for preparing indole compounds 日本烟草产业株式会社 2024-01-19 — — CN disclosed
EP-4263538-A1 PYRIDO[2,3-D]IMIDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF ITK FOR THE TEATMENT OF SKIN DISEASE Pfizer Inc. (US) 2023-10-25 — — EP disclosed
US-20230280220-A1 Benzimidazole Derivative Compounds and Uses Thereof PFIZER INC. (US) 2023-09-07 — — US disclosed
US-20230280220-A1 Benzimidazole Derivative Compounds and Uses Thereof PFIZER INC. (US) 2023-09-07 — — US disclosed
US-20230280220-A1 Benzimidazole Derivative Compounds and Uses Thereof PFIZER INC. (US) 2023-09-07 — — US disclosed
US-8299070-B2 Indole compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2012-10-30 — — US disclosed
EP-2505586-A1 INDOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2012-10-03 — — EP disclosed
EP-2505586-A1 INDOLE COMPOUND AND PHARMACEUTICAL USE THEREOF Japan Tobacco, Inc. (JP) 2012-10-03 — — EP disclosed
CN-102712624-A Indole compound and pharmaceutical use thereof JAPAN TOBACCO INC 2012-10-03 — — CN disclosed
US-20110306599-A1 INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2011-12-15 — — US disclosed
US-20110306599-A1 INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2011-12-15 — — US disclosed
US-20110306599-A1 INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2011-12-15 — — US disclosed
WO-2011065402-A1 INDOLE COMPOUND AND PHARMACEUTICAL USE THEREOF 日本たばこ産業株式会社 (JP) 2011-06-03 — — WO disclosed
WO-2010136778-A1 DIBENZOTHIOPHENE DERIVATIVES AS DNA- PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2010-12-02 — — WO disclosed
WO-2010136778-A1 DIBENZOTHIOPHENE DERIVATIVES AS DNA- PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2010-12-02 — — WO 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-12503491-B2 MASP inhibitory compounds and uses thereof MASP2, SERPINB1, SPINT2 ALDH1A1 2138/4885CYP3A4 3919/4885TSHR 3032/4885
US-20240124439-A1 Pyrido[2,3-D]Imidazole Derivatives and Their Use As Inhibitors of ITK for the Treatment of Skin Disease ITK, PDXK, HRH4 ALDH1A1 1183/4885CYP3A4 179/4885TSHR 2788/4885
US-20240124522-A1 MASP INHIBITORY COMPOUNDS AND USES THEREOF MASP2, SERPINB1, SPINT2 ALDH1A1 2138/4885CYP3A4 3919/4885TSHR 3032/4885
US-20110306599-A1 INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF IDO1, IDO2, INMT ALDH1A1 420/4885CYP3A4 284/4885TSHR 2615/4885

“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.