SCHEMBL5860147

SCHEMBL5860147

CCOC(=O)C(Cc1ccccc1Cl)(C(=O)OCC)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.41
▸ HPGD P15428 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ MAPT P10636 5/20 0.37
▸ RORC P51449 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PIN1 Q13526 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ TDP1 Q9NUW8 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
SCHEMBL7786903 0.94 ALDH1A1 (0.39) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL10806978 0.79 PIN1 (0.41) ALDH1A1HPGDKMT2ANPSR1MAPT
SCHEMBL5861419 0.77 MAPT (0.40) ALDH1A1KMT2AMAPTRAB9AKDM4E
SCHEMBL29277129 0.76 ALDH1A1 (0.48) ALDH1A1HPGDCYP1A2CYP3A4CYP2D6
SCHEMBL11024141 0.74 TSHR (0.41) ALDH1A1HPGDCYP1A2CYP3A4KMT2A
SCHEMBL9733628 0.73 CHRM2 (0.38) ALDH1A1KMT2AMAPTTSHRKDM4E
SCHEMBL11430256 0.73 ALDH1A1 (0.49) ALDH1A1NPSR1MAPTTSHRLMNA
SCHEMBL2126777 0.73 TSHR (0.41) ALDH1A1HPGDCYP1A2CYP3A4KMT2A
SCHEMBL5861424 0.72 ALDH1A1 (0.42) ALDH1A1HPGDKMT2ANPSR1MAPT
SCHEMBL2989486 0.72 TSHR (0.42) ALDH1A1HPGDCYP1A2CYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020169203-A1 Ion channel modulating agents NEUROSEARCH A/S (DK) 2002-11-14 — — US claimed
EP-1140784-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-10-10 — — EP claimed
WO-2000037422-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-29 — — WO claimed
US-7012146-B2 Ion channel modulating agents POSEIDON PHARMACEUTICALS A/S (DK) 2006-03-14 — — US disclosed
US-20020169203-A1 Ion channel modulating agents NEUROSEARCH A/S (DK) 2002-11-14 — — US disclosed
EP-1140784-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2001-10-10 — — EP disclosed
WO-2000037422-A2 ION CHANNEL MODULATING AGENTS NEUROSEARCH A/S (DK) 2000-06-29 — — 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-20020169203-A1 Ion channel modulating agents KCNN3, KCNN1, KCNN2 ALDH1A1 4482/4885HPGD 1762/4885CYP1A2 4584/4885

“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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