SCHEMBL4547019

SCHEMBL4547019

CCCS(=O)(=O)N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
LMNA P02545 2/20 0.61
CYP1A2 P05177 1/20 0.51
CA12 O43570 1/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
CYP2C9 P11712 1/20 0.44
TSHR P16473 2/20 0.43
GLA P06280 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
SLC6A9 P48067 2/20 0.42
HSD17B10 Q99714 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
SCHEMBL7297373 0.88 ALDH1A1 (0.50) ALDH1A1LMNACYP1A2CA12CA7
SCHEMBL7602303 0.86 CA12 (0.59) ALDH1A1LMNACA12CA7CA14
SCHEMBL15693585 0.86 CA12 (0.59) ALDH1A1LMNACYP1A2CA12CA7
SCHEMBL21210697 0.86 LMNA (0.49) ALDH1A1LMNACYP1A2CA12CA7
SCHEMBL16372265 0.84 ALDH1A1 (0.48) ALDH1A1LMNACYP1A2CA12CA7
SCHEMBL7856439 0.84 ALDH1A1 (0.48) ALDH1A1LMNACYP1A2CA12CA7
SCHEMBL20372908 0.84 ALDH1A1 (0.48) ALDH1A1LMNACYP1A2CA12CA7
SCHEMBL23555007 0.84 L3MBTL1 (0.56) ALDH1A1LMNACYP1A2KDM4ESMN1; SMN2
SCHEMBL26541961 0.80 ALDH1A1 (0.44) ALDH1A1LMNACYP1A2CA12CA7
SCHEMBL178417 0.79 L3MBTL1 (0.49) ALDH1A1LMNACYP1A2KDM4ESMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023196432-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. (US) 2023-10-12 WO disclosed
WO-2019147862-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF FLX BIO, INC. (US) 2019-08-01 WO disclosed
US-8541575-B2 3,4-diarylpyrazoles as protein kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2013-09-24 US disclosed
EP-2373664-B1 BICYCLIC PYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-06-12 EP disclosed
EP-2324008-B1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2012-05-09 EP disclosed
US-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2011-06-16 US disclosed
WO-2010070060-A1 BICYCLIC PYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-06-24 WO disclosed
WO-2010010154-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-01-28 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-20110144068-A1 3,4-DIARYLPYRAZOLES AS PROTEIN KINASE INHIBITORS MAP3K3, MAP3K19, MAP3K15 ALDH1A1 2810/4885LMNA 3734/4885CYP1A2 1970/4885

“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.