SCHEMBL23884841

SCHEMBL23884841

O=C(O)CCc1ccccc1C(=O)N1CCSCC1CO

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
TSHR P16473 3/20 0.37
HCRTR2 O43614 5/20 0.36
HCRTR1 O43613 4/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTGER1 P34995 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
KEAP1 Q14145 1/20 0.32
TP53 P04637 1/20 0.32
SCN1A P35498 1/20 0.32

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
SCHEMBL23884840 1.00 ALDH1A1 (0.37) ALDH1A1TSHRHCRTR2HCRTR1MEN1
SCHEMBL25718953 0.85 CYP4F2 (0.47) ALDH1A1TSHRHCRTR2MEN1KMT2A
SCHEMBL30177262 0.85 CYP4F2 (0.47) ALDH1A1TSHRHCRTR2MEN1KMT2A
SCHEMBL23884672 0.81 HCRTR2 (0.52) HCRTR2HCRTR1LMNATP53
SCHEMBL23884669 0.81 HCRTR2 (0.52) HCRTR2HCRTR1LMNATP53
SCHEMBL23884864 0.79 ALDH1A1 (0.47) ALDH1A1TSHRHCRTR2HCRTR1
SCHEMBL23884865 0.79 ALDH1A1 (0.47) ALDH1A1TSHRHCRTR2HCRTR1
SCHEMBL23884691 0.78 MEN1 (0.39) ALDH1A1TSHRHCRTR2MEN1KMT2A
SCHEMBL23884663 0.77 THRA (0.40) THRATHRBPTGER1PTGER4PTGER3
SCHEMBL23884662 0.77 THRA (0.40) THRATHRBPTGER1PTGER4PTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192611-A1 MODULATORS OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2023-06-22 US disclosed
EP-4126832-A1 MODULATORS OF HEMOGLOBIN Global Blood Therapeutics, Inc. (US) 2023-02-08 EP disclosed
WO-2021202284-A1 MODULATORS OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-10-07 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 (1 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-20230192611-A1 MODULATORS OF HEMOGLOBIN HBG1, HBG2, HBB ALDH1A1 1650/4885TSHR 2136/4885HCRTR2 4782/4885

“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.