SCHEMBL24317636

SCHEMBL24317636

O=C(O)CCC(C(=O)O)N1C(=S)c2ccc(Br)c3cccc1c23

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
POLB P06746 3/20 0.45
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TP53 P04637 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
ALOX12 P18054 1/20 0.45
NFKB1 P19838 1/20 0.45
APEX1 P27695 1/20 0.45
MAPT P10636 3/20 0.41
ALOX15 P16050 1/20 0.41
CYP1B1 Q16678 9/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL29583308 1.00 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDPOLBMAPK1
SCHEMBL29583096 0.80 SLC22A12 (0.35) ALDH1A1POLBHSD17B10ALOX15CYP1B1
SCHEMBL24329218 0.80 SLC22A12 (0.35) ALDH1A1POLBHSD17B10ALOX15CYP1B1
SCHEMBL2174975 0.73 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDPOLBMAPK1
SCHEMBL11172691 0.69 BRD4 (0.45) ALDH1A1KDM4EHPGDPOLBHSD17B10
SCHEMBL2172873 0.69 ALDH1A1 (0.81) ALDH1A1KDM4EHPGDPOLBMAPK1
SCHEMBL24317634 0.68 CYP1B1 (0.41) ALDH1A1KDM4EPOLBMAPTCYP1B1
SCHEMBL29531869 0.68 CYP1B1 (0.41) ALDH1A1KDM4EPOLBMAPTCYP1B1
SCHEMBL25583428 0.64 KDM4E (0.76) ALDH1A1KDM4EHPGDPOLBMAPK1
SCHEMBL14991107 0.63 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C 4 Therapeutics, Inc. (US) 2024-01-18 US disclosed
US-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2023-11-23 US disclosed
US-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2023-11-23 US disclosed
WO-2022081927-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY C4 THERAPEUTICS, INC. (US) 2022-04-21 WO disclosed
WO-2022081928-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2022-04-21 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 (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-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS CRBN, CDR2, MDM2 ALDH1A1 4099/4885KDM4E 2875/4885HPGD 3720/4885
US-20240018118-A1 TRICYCLIC COMPOUNDS TO DEGRADE NEOSUBSTRATES FOR MEDICAL THERAPY NFATC1, CTSS, MMP12 ALDH1A1 2267/4885KDM4E 791/4885HPGD 1054/4885

“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.