SCHEMBL2653673

SCHEMBL2653673

CCOC(=O)c1ccc(CCCCO)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
POLB P06746 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 2/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 1/20 0.46
PRNP P04156 1/20 0.46
RECQL P46063 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CYP4F2 P78329 3/20 0.43
CYP4A11 Q02928 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
ERN1 O75460 2/20 0.40
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
GAA P10253 3/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL2654064 0.98 POLB (0.49) HDAC3HDAC4HDAC1HDAC6POLB
SCHEMBL2653395 0.98 POLB (0.49) HDAC3HDAC4HDAC1HDAC6POLB
SCHEMBL2655129 0.98 POLB (0.49) HDAC3HDAC4HDAC1HDAC6POLB
SCHEMBL2653067 0.95 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC6POLB
SCHEMBL2653869 0.89 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC6POLB
SCHEMBL20772045 0.87 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC6POLB
SCHEMBL20772406 0.85 POLB (0.48) HDAC3HDAC4HDAC1HDAC6POLB
SCHEMBL5736276 0.84 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC6POLB
SCHEMBL2162982 0.84 HPGD (0.55) POLBTDP1HPGDALDH1A1LMNA
SCHEMBL6981207 0.83 HPGD (0.57) POLBTDP1HPGDALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230091810-A1 FIRST-IN-CLASS OF SHMT2 AND MTHFD2 INHIBITORS AS ANTITUMOR AGENTS DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2023-03-23 US disclosed
US-11384084-B2 First-in-class of SHMT2 and MTHFD2 inhibitors as antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2022-07-12 US disclosed
US-20210047332-A1 FIRST-IN-CLASS OF SHMT2 AND MTHFD2 INHIBITORS AS ANTITUMOR AGENTS WAYNE STATE UNIVERSITY 2021-02-18 US disclosed
US-10793573-B2 First-in-class of SHMT2 and MTHFD2 inhibitors as antitumor agents DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2020-10-06 US disclosed
EP-3675864-A1 FIRST-IN-CLASS OF SHMT2 AND MTHFD2 INHIBITORS AS ANTITUMOR AGENTS Duquesne University of The Holy Spirit (US) 2020-07-08 EP disclosed
US-20190100524-A1 FIRST-IN-CLASS OF SHMT2 AND MTHFD2 INHIBITORS AS ANTITUMOR AGENTS DUQUESNE UNIVERSITY OF THE HOLY SPIRIT 2019-04-04 US disclosed
WO-2019046612-A1 FIRST-IN-CLASS OF SHMT2 AND MTHFD2 INHIBITORS AS ANTITUMOR AGENTS DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) 2019-03-07 WO disclosed
EP-1957484-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES Eli Lilly & Company (US) 2008-08-20 EP disclosed
EP-1856090-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-11-21 EP disclosed
WO-2007120284-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-10-25 WO disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 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 (5 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-20210047332-A1 FIRST-IN-CLASS OF SHMT2 AND MTHFD2 INHIBITORS AS ANTITUMOR AGENTS MTHFD1, SHMT1, SHMT2 HDAC3 825/4885HDAC4 1605/4885HDAC1 1304/4885
US-11384084-B2 First-in-class of SHMT2 and MTHFD2 inhibitors as antitumor agents MTHFD1, SHMT1, SHMT2 HDAC3 825/4885HDAC4 1605/4885HDAC1 1304/4885
US-20230091810-A1 FIRST-IN-CLASS OF SHMT2 AND MTHFD2 INHIBITORS AS ANTITUMOR AGENTS MTHFD1, SHMT1, SHMT2 HDAC3 962/4885HDAC4 1765/4885HDAC1 1494/4885
US-20190100524-A1 FIRST-IN-CLASS OF SHMT2 AND MTHFD2 INHIBITORS AS ANTITUMOR AGENTS SHMT2, MTHFD1, SHMT1 HDAC3 913/4885HDAC4 1930/4885HDAC1 1104/4885
US-10793573-B2 First-in-class of SHMT2 and MTHFD2 inhibitors as antitumor agents SHMT2, MTHFD1, SHMT1 HDAC3 913/4885HDAC4 1930/4885HDAC1 1104/4885

“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.