SCHEMBL4280583

SCHEMBL4280583

N=C(N)SCCCC(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.54
CYP2C19 P33261 3/20 0.54
HRH4 Q9H3N8 4/20 0.52
NOS1 P29475 4/20 0.52
NOS3 P29474 3/20 0.52
NOS2 P35228 3/20 0.52
TDP1 Q9NUW8 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HRH2 P25021 1/20 0.47
TSHR P16473 3/20 0.46
MAPT P10636 2/20 0.46
HSD17B10 Q99714 1/20 0.45
LMNA P02545 3/20 0.44
CYP3A4 P08684 1/20 0.44
APEX1 P27695 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.43
GABRR3 A8MPY1 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42

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
SCHEMBL4285415 0.86
Hydrochloric Acid SCHEMBL29150937 0.84 CYP1A2 (0.58) CYP1A2CYP2C19HRH4NOS1NOS3
SCHEMBL11880033 0.81 TSHR (0.48) CYP1A2TDP1ALDH1A1TSHRHSD17B10
Thiourea SCHEMBL30543065 0.80 CYP1A2 (0.65) CYP1A2CYP2C19HRH4NOS1NOS3
Hydrochloric Acid SCHEMBL8997526 0.78 NOS1 (0.54) CYP1A2CYP2C19HRH4NOS1NOS3
SCHEMBL9710137 0.77 CYP1A2 (0.75) CYP1A2TDP1ALDH1A1TSHRHSD17B10
SCHEMBL16223462 0.77 TSHR (0.50) TDP1ALDH1A1TSHRHSD17B10LMNA
Adipic Acid SCHEMBL1071331 0.75 LMNA (0.69) CYP1A2TDP1ALDH1A1TSHRHSD17B10
SCHEMBL9193111 0.75 CYP1A2 (0.71) CYP1A2CYP2C19HRH4NOS1NOS3
Glutarate SCHEMBL4148651 0.75 SLC22A6 (0.69) CYP1A2ALDH1A1TSHRLMNASLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2024-06-06 US disclosed
WO-2023004308-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER INSPIRNA, INC. (US) 2023-01-26 WO disclosed
EP-3950673-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF Inspirna, Inc. (US) 2022-02-09 EP disclosed
EP-3950673-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF Inspirna, Inc. (US) 2022-02-09 EP disclosed
EP-3137447-B1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX INC (US) 2021-06-30 EP disclosed
EP-3137447-B1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX INC (US) 2021-06-30 EP disclosed
US-10717704-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2020-07-21 US disclosed
US-10717704-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2020-07-21 US disclosed
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF INSPIRNA, INC. 2019-10-17 US disclosed
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF INSPIRNA, INC. 2019-10-17 US disclosed
US-10308597-B2 Inhibitors of creatine transport and uses thereof RGENIX, INC. (US) 2019-06-04 US disclosed
US-10251392-B2 Antimicrobial devices and compositions AVENT, INC. (US) 2019-04-09 US disclosed
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF INSPIRNA, INC. 2017-02-23 US disclosed
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF INSPIRNA, INC. 2017-02-23 US disclosed
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF INSPIRNA, INC. 2017-02-23 US disclosed
WO-2016176636-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX, INC. (US) 2016-11-03 WO disclosed
WO-2015168465-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF RGENIX, INC. (US) 2015-11-05 WO disclosed
US-20090035342-A1 Antimicrobial Devices and Compositions AVANOS MEDICAL SALES, LLC 2009-02-05 US disclosed
EP-1781098-A2 ANTIMICROBIAL DEVICES AND COMPOSITIONS ACRYMED, INC. (US) 2007-05-09 EP disclosed
WO-2006015317-A2 ANTIMICROBIAL DEVICES AND COMPOSITIONS ACRYMED, INC. (US) 2006-02-09 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 (7 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-20240180912-A1 COMPOSITIONS AND METHODS FOR INHIBITING CREATINE TRANSPORT AS A TREATMENT FOR CANCER KRAS, FOLR2, SLC19A1 CYP1A2 4191/4885CYP2C19 2097/4885HRH4 4176/4885
US-10717704-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 CYP1A2 3361/4885CYP2C19 1838/4885HRH4 4614/4885
US-10251392-B2 Antimicrobial devices and compositions AAAS, AOC1, COL14A1 CYP1A2 3226/4885CYP2C19 2513/4885HRH4 3182/4885
US-10308597-B2 Inhibitors of creatine transport and uses thereof CKMT1A; CKMT1B, SLC25A1, SLC2A1 CYP1A2 3361/4885CYP2C19 1838/4885HRH4 4614/4885
US-20090035342-A1 Antimicrobial Devices and Compositions AAAS, AOC1, COL14A1 CYP1A2 3226/4885CYP2C19 2513/4885HRH4 3182/4885
US-20170050924-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 CYP1A2 3361/4885CYP2C19 1838/4885HRH4 4614/4885
US-20190315680-A1 INHIBITORS OF CREATINE TRANSPORT AND USES THEREOF CKMT1A; CKMT1B, SLC25A1, SLC2A1 CYP1A2 3361/4885CYP2C19 1838/4885HRH4 4614/4885

“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.