SCHEMBL12313525

SCHEMBL12313525

Cc1ccc(-c2ccc(S(=O)(=O)O)cn2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.61
▸ CCR5 P51681 1/20 0.61
▸ CCR8 P51685 1/20 0.61
▸ HDAC6 Q9UBN7 1/20 0.61
▸ KDM4E B2RXH2 4/20 0.53
▸ PTGS2 P35354 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ METAP2 P50579 1/20 0.46
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ NAPRT Q6XQN6 1/20 0.41
▸ SNCA P37840 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMO Q99835 1/20 0.39

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
SCHEMBL8438731 0.88 KDM4E (0.65) CCR1CCR5CCR8HDAC6KDM4E
SCHEMBL9239536 0.86 KDM4E (0.63) CCR1CCR5CCR8HDAC6KDM4E
Abametapir SCHEMBL29374261 0.78 CCR1 (1.00) CCR1CCR5CCR8HDAC6KDM4E
Abametapir SCHEMBL351152 0.78 CCR1 (1.00) CCR1CCR5CCR8HDAC6KDM4E
SCHEMBL3162360 0.78 KDM4E (0.59) HDAC6KDM4EPTGS2ALDH1A1MAPT
SCHEMBL7825110 0.76 KDM4E (0.57) KDM4EALDH1A1MAPTTDP1LMNA
Hydrochloric Acid SCHEMBL28163854 0.76 KDM4E (0.57) HDAC6KDM4EPTGS2ALDH1A1MAPT
SCHEMBL29774732 0.76 P4HTM (0.56) CCR1CCR5CCR8KDM4EALDH1A1
SCHEMBL8438728 0.76 P4HTM (0.56) CCR1CCR5CCR8KDM4EALDH1A1
SCHEMBL31313 0.74 GAA (0.62) KDM4EALDH1A1MAPTTDP1LMNA

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-20160146826-A1 Electronically Neutral Metal Complexes As Biological Labels HUNAN SANSURE ACCUCISE BIOTECHNOLOGY CO., LTD. (CN) 2016-05-26 — — US disclosed
US-8263794-B2 Process for the partial hydrogenation of fatty acid esters COGNIS IP MANAGEMENT GMBH (DE) 2012-09-11 — — 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 (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-20160146826-A1 Electronically Neutral Metal Complexes As Biological Labels MB, MCU, LETM1 CCR1 3894/4885CCR5 3044/4885CCR8 4150/4885

“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.

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