SCHEMBL23927583

SCHEMBL23927583

Cc1ccc(CCO[N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.39
TSHR P16473 2/20 0.38
KAT8 Q9H7Z6 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
HMGB1 P09429 1/20 0.36
CXCL12 P48061 1/20 0.36
CFD P00746 1/20 0.36
RXRA P19793 1/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KLKB1 P03952 1/20 0.35
CTSB P07858 1/20 0.35
MMP9 P14780 1/20 0.35

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
SCHEMBL23927634 0.89 RARB (0.43) TSHRPTGS1PTGS2HMGB1CXCL12
SCHEMBL27655430 0.77 TSHR (0.42) LCKTSHRHMGB1CXCL12CFD
SCHEMBL28087997 0.77 HDAC7 (0.43) PTGS1PTGS2
SCHEMBL23927597 0.75 TDP1 (0.47) TSHRALDH1A1
SCHEMBL7455122 0.75 LCK (0.47) LCKKAT8HMGB1CXCL12CFD
SCHEMBL5605087 0.75 CFD (0.56) TSHRPTGS1PTGS2HMGB1CFD
SCHEMBL8957443 0.74 TSHR (0.42) TSHRALDH1A1
SCHEMBL23927696 0.74 FOLH1 (0.50) PTGS1PTGS2RAB9ASMN1; SMN2
SCHEMBL11446707 0.73 BACE1 (0.46) LCKTSHRKAT8PTGS1HMGB1
SCHEMBL5150726 0.73 ACHE (0.42) TSHRNPC1ALDH1A1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR VIVAVISION (SHANGHAI) LTD (CN) 2022-10-20 US disclosed
EP-3901156-A1 NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR Vivavision (Shanghai) Ltd (CN) 2021-10-27 EP disclosed
EP-3901156-A1 NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR Vivavision (Shanghai) Ltd (CN) 2021-10-27 EP disclosed
CN-111217834-B Nitroxide derivatives of ROCK kinase inhibitors 维眸生物科技(上海)有限公司 2021-10-26 CN disclosed
CN-111217834-A Nitroxide derivatives of ROCK kinase inhibitors 维眸生物科技(上海)有限公司 2020-06-02 CN 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-20220332726-A1 NITROXIDE DERIVATIVE OF ROCK KINASE INHIBITOR ROCK1, NOS1, ROCK2 LCK 523/4885TSHR 1944/4885KAT8 1903/4885

“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.