SCHEMBL4813897

SCHEMBL4813897

COc1ccc(CSCCNCC(=O)NCCSCc2ccc(OC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
GAA P10253 1/20 0.56
PKM P14618 1/20 0.55
MAPT P10636 1/20 0.51
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.49
POLB P06746 1/20 0.48
CYP2D6 P10635 1/20 0.47

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
SCHEMBL31019312 0.88 GAA (0.54) ALDH1A1SMN1; SMN2GAAPKMMAPT
SCHEMBL673608 0.86 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2GAAPKMMAPT
SCHEMBL13979120 0.85 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2GAAPKMMAPT
SCHEMBL6277688 0.81 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2GAAPKMMAPT
Hydrochloric Acid SCHEMBL8841049 0.81 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2GAAPKMMAPT
SCHEMBL31019313 0.81 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2GAAPKMMAPT
SCHEMBL10039350 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAPKMMAPT
SCHEMBL671879 0.78 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2GAAPKMMAPT
SCHEMBL15023508 0.74 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2PKMMAPTLMNA
SCHEMBL670769 0.74 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2GAAPKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017432-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2022-01-20 US disclosed
US-20190169084-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2019-06-06 US disclosed
US-20180162784-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2018-06-14 US disclosed
US-9850183-B2 Conjugates derived from non-steroidal anti-inflammatory drugs and methods of use thereof in imaging Reiley Pharmaceuticals, Inc. (US) 2017-12-26 US disclosed
US-20150374858-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2015-12-31 US disclosed
WO-2015200187-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. (US) 2015-12-30 WO disclosed
US-7378079-B2 Agents for imaging and diagnostic methods using them NST NEUROSURVIVAL TECHNOLOGIES LTD. (IL) 2008-05-27 US disclosed
US-7378079-B2 Agents for imaging and diagnostic methods using them NST NEUROSURVIVAL TECHNOLOGIES LTD. (IL) 2008-05-27 US disclosed
US-7378079-B2 Agents for imaging and diagnostic methods using them NST NEUROSURVIVAL TECHNOLOGIES LTD. (IL) 2008-05-27 US disclosed
US-20050276750-A1 Agents for imaging and diagnostic methods using them APOSENSE LTD. (IL) 2005-12-15 US disclosed
EP-1546092-A2 AGENTS FOR IMAGING AND DIAGNOSTIC METHODS USING THEM Nst Neurosurvival Technologies Ltd. (IL) 2005-06-29 EP disclosed
WO-2003101948-A2 AGENTS FOR IMAGING AND DIAGNOSTIC METHODS USING THEM NST NEUROSURVIVAL TECHNOLOGIES LTD. (IL) 2003-12-11 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 (5 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-20180162784-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS ALDH1A1 626/4885SMN1; SMN2 4033/4885GAA 3332/4885
US-20220017432-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS ALDH1A1 626/4885SMN1; SMN2 4033/4885GAA 3332/4885
US-20050276750-A1 Agents for imaging and diagnostic methods using them ANXA4, ANXA3, NME4 ALDH1A1 4325/4885SMN1; SMN2 2097/4885GAA 1769/4885
US-20150374858-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS ALDH1A1 626/4885SMN1; SMN2 4033/4885GAA 3332/4885
US-20190169084-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS ALDH1A1 626/4885SMN1; SMN2 4033/4885GAA 3332/4885

“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.