SCHEMBL25276232

SCHEMBL25276232

COc1ccc(N2CCCS2(O)O)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MYC P01106 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
APP P05067 1/20 0.37
POLB P06746 1/20 0.37
IP6K1 Q92551 1/20 0.37
GAA P10253 1/20 0.36
CFD P00746 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL25424713 0.96 MEN1 (0.42) APEX1TP53MEN1KMT2AALDH1A1
SCHEMBL25229814 0.87 TP53 (0.54) TP53SMN1; SMN2POLB
SCHEMBL31038304 0.87 TP53 (0.54) TP53SMN1; SMN2POLB
SCHEMBL25423223 0.85 POLB (0.42) TP53MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL31079461 0.83 POLB (0.55) TP53MEN1KMT2ASMN1; SMN2POLB
SCHEMBL25424710 0.83 POLB (0.55) TP53MEN1KMT2ASMN1; SMN2POLB
SCHEMBL15668198 0.77 MYC (0.49) MEN1KMT2AALDH1A1SMN1; SMN2MYC
SCHEMBL14686719 0.76 TP53 (0.51) TP53ALDH1A1SMN1; SMN2POLB
SCHEMBL15668571 0.73 MYC (0.48) MEN1KMT2AALDH1A1SMN1; SMN2MYC
SCHEMBL17184276 0.73 MAPT (0.39) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250100960-A1 NAPHTHALENE AND QUINOLINE ANALOGS AS RXFP1 AGONISTS BRISTOL MYERS SQUIBB CO (US) 2025-03-27 US disclosed
EP-4448504-A1 NAPHTHALENE AND QUINOLINE ANALOGS AS RXFP1 AGONISTS Bristol-Myers Squibb Company (US) 2024-10-23 EP disclosed
WO-2023114819-A1 TETRALINE, PHENYLCYCLOBUTANE, AND PHENYLCYCLOPENTANE ANALOGS AS RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 WO disclosed
WO-2023114818-A1 NAPHTHALENE AND QUINOLINE ANALOGS AS RXFP1 AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-22 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-20250100960-A1 NAPHTHALENE AND QUINOLINE ANALOGS AS RXFP1 AGONISTS RXFP1, RXFP2, RXFP3 APEX1 3737/4885TP53 4290/4885MEN1 1504/4885

“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.