SCHEMBL21207441

SCHEMBL21207441

CCCC(CC)CCS(=O)(=O)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 1/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
CYP2C9 P11712 1/20 0.35
TSHR P16473 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SLC6A9 P48067 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
SCHEMBL26541961 0.82 ALDH1A1 (0.44) ALDH1A1LMNACYP1A2KDM4ECA12
SCHEMBL22600626 0.81 LMNA (0.42) ALDH1A1LMNACYP1A2KDM4ECA12
SCHEMBL4547019 0.79 ALDH1A1 (0.61) ALDH1A1LMNACYP1A2KDM4ECA12
SCHEMBL21207380 0.78 LMNA (0.47) ALDH1A1LMNACYP1A2KDM4ECA12
SCHEMBL7297373 0.75 ALDH1A1 (0.50) ALDH1A1LMNACYP1A2KDM4ECA12
SCHEMBL15693585 0.74 CA12 (0.59) ALDH1A1LMNACYP1A2KDM4ECA12
SCHEMBL7602303 0.74 CA12 (0.59) ALDH1A1LMNAKDM4ECA12CA7
SCHEMBL21210697 0.74 LMNA (0.49) ALDH1A1LMNACYP1A2KDM4ECA12
SCHEMBL21207459 0.74 ALDH1A1 (0.41) ALDH1A1LMNACYP1A2KDM4ECA12
SCHEMBL7856439 0.73 ALDH1A1 (0.48) ALDH1A1LMNACYP1A2KDM4ECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683280-B2 Chemokine receptor modulators and uses thereof RAPT THERAPEUTICS, INC. (US) 2020-06-16 US disclosed
US-20190233397-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2019-08-01 US 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 (2 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-10683280-B2 Chemokine receptor modulators and uses thereof ACKR3, CCR5, CXCR3 ALDH1A1 2077/4885LMNA 4823/4885CYP1A2 4297/4885
US-20190233397-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF ACKR3, CCR5, CXCR3 ALDH1A1 2077/4885LMNA 4823/4885CYP1A2 4297/4885

“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.