SCHEMBL6848050

SCHEMBL6848050

OC(c1ccccc1)c1nccs1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.52
CTSA P10619 8/20 0.49
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
PDPK1 O15530 1/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GRM5 P41594 1/20 0.42
SLC6A3 Q01959 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SLC6A9 P48067 1/20 0.40

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
SCHEMBL5514812 0.81 ALOX5 (0.41) ALOX5CTSAHPGDSMN1; SMN2KDM4E
SCHEMBL6011470 0.81 FFAR2 (0.46) ALOX5CTSASMN1; SMN2LMNASLC6A3
SCHEMBL12064962 0.81 CTSA (0.45) ALOX5CTSAHPGDSMN1; SMN2NPC1
SCHEMBL31090349 0.81 ALOX5 (0.41) ALOX5CTSASMN1; SMN2LMNAKDM4E
SCHEMBL17064896 0.81 ALOX5 (0.53) ALOX5CTSA
SCHEMBL4768669 0.81 ALDH1A1 (0.42) ALOX5CTSAPDPK1LMNAKDM4E
SCHEMBL7901954 0.80 CTSA (0.48) CTSAPDPK1LMNAGRM5SLC6A3
SCHEMBL4030982 0.79 ALOX5 (0.40) ALOX5CTSAKDM4ENPC1RAB9A
SCHEMBL2593428 0.77 CTSA (0.46) ALOX5CTSAPDPK1LMNAGRM5
SCHEMBL11172666 0.77 KMT2A (0.47) CTSAPDPK1LMNASLC6A3TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159475-A1 COMPOUNDS WITH IMMUNOMODULATORY ACTIVITY AND THERAPEUTIC USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2023-05-25 US claimed
EP-4117647-A1 COMPOUNDS WITH IMMUNOMODULATORY ACTIVITY AND THERAPEUTIC USES THEREOF Purdue Research Foundation (US) 2023-01-18 EP claimed
CN-115551497-A Compounds with immunomodulatory activity and therapeutic uses thereof 普渡研究基金会 2022-12-30 CN claimed
WO-2021183370-A1 COMPOUNDS WITH IMMUNOMODULATORY ACTIVITY AND THERAPEUTIC USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2021-09-16 WO claimed
US-12448359-B2 Compounds with immunomodulatory activity and therapeutic uses thereof PURDUE RESEARCH FOUNDATION (US) 2025-10-21 US disclosed
CN-115551497-B Compounds with immunomodulatory activity and therapeutic uses thereof 普渡研究基金会 2024-11-08 CN disclosed
US-20230159475-A1 COMPOUNDS WITH IMMUNOMODULATORY ACTIVITY AND THERAPEUTIC USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2023-05-25 US disclosed
EP-4117647-A1 COMPOUNDS WITH IMMUNOMODULATORY ACTIVITY AND THERAPEUTIC USES THEREOF Purdue Research Foundation (US) 2023-01-18 EP disclosed
CN-115551497-A Compounds with immunomodulatory activity and therapeutic uses thereof 普渡研究基金会 2022-12-30 CN disclosed
WO-2021183370-A1 COMPOUNDS WITH IMMUNOMODULATORY ACTIVITY AND THERAPEUTIC USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2021-09-16 WO disclosed
US-9365553-B2 Heterocyclic compound and H1 receptor antagonist ASKA PHARMACEUTICAL CO., LTD. (JP) 2016-06-14 US disclosed
US-9365553-B2 Heterocyclic compound and H1 receptor antagonist ASKA PHARMACEUTICAL CO., LTD. (JP) 2016-06-14 US disclosed
EP-0861843-A2 Fluorescent ionophoric compounds with a cryptand/crown-ether portion and a coumarin portion, their preparation and their use for measuring metal cation concentrations MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-09-02 EP disclosed
US-5672567-A PRE- AND POST-EMERGENCE ZENECA LIMITED (GB) 1997-09-30 US disclosed
US-5670453-A PYRAZINEARYL COMPOUND ZENECA LIMITED (GB) 1997-09-23 US disclosed
EP-0758323-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1997-02-19 EP disclosed
US-5474743-A A fluorescent ionophoric compound comprising a cryptand portion and a coumarin portion substituted at the 3-position with an electron withdrawing group MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-12-12 US disclosed
WO-1995029898-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1995-11-09 WO disclosed
CN-1106407-A Cation-sensitive composite structures and compounds for use therein MINNESOTA MINING & MFG (US) 1995-08-09 CN disclosed
EP-0649848-A1 Cation-sensing composite structure and compounds for use therein MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-04-26 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 (2 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-20230159475-A1 COMPOUNDS WITH IMMUNOMODULATORY ACTIVITY AND THERAPEUTIC USES THEREOF CD47, CD74, ICOS ALOX5 268/4885CTSA 275/4885HPGD 850/4885
US-12448359-B2 Compounds with immunomodulatory activity and therapeutic uses thereof CD47, CD74, ICOS ALOX5 268/4885CTSA 275/4885HPGD 850/4885

“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.