SCHEMBL29613624

SCHEMBL29613624

CC(=O)c1cccc(CN[SH](=O)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
MAOB P27338 4/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 1/20 0.41
MEP1B Q16820 1/20 0.41

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
SCHEMBL10131961 0.81 NOS1 (0.51) CYP19A1MAOBALDH1A1LMNAMAPK1
SCHEMBL8646446 0.79 HDAC1 (0.57) CYP19A1MAOBALDH1A1TSHRRAB9A
SCHEMBL28872991 0.79 KMT2A (0.55) CYP19A1MAOBALDH1A1LMNARAB9A
SCHEMBL12678483 0.79 CYP19A1 (0.60) CYP19A1MAOBALDH1A1SMN1; SMN2TSHR
SCHEMBL5473408 0.78 MAOB (0.54) MAOBALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL6906260 0.78 MEP1B (0.49) CYP19A1MAOBALDH1A1SMN1; SMN2LMNA
SCHEMBL18095346 0.78 TSHR (0.54) CYP19A1MAOBTSHRNPC1CYP1A2
SCHEMBL6911637 0.77 MEP1B (0.55) CYP19A1MAOBMEP1B
SCHEMBL3335985 0.76 LMNA (0.59) MAOBALDH1A1LMNAMAPK1MEN1
SCHEMBL4623980 0.75 TSHR (0.55) CYP19A1MAOBALDH1A1SMN1; SMN2LMNA

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
EP-4000609-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING BONE DISEASES UNIV NAT CHONNAM IND FOUND (KR) 2024-11-13 EP disclosed
US-20220313633-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING BONE DISEASES INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2022-10-06 US disclosed
EP-4000609-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING BONE DISEASES Industry Foundation of Chonnam National University (KR) 2022-05-25 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 (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-20220313633-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING BONE DISEASES HPGDS, ARG1, RELA CYP19A1 966/4885MAOB 3180/4885ALDH1A1 1289/4885

“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.