SCHEMBL14417874

SCHEMBL14417874

Cc1ccc(S(=O)(=O)NCC(c2ccc3c(c2)OCO3)c2cc3ccc(C(N)=O)cc3[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 9/20 0.49
▸ EDNRB P24530 8/20 0.49
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ CHEK2 O96017 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL29095265 0.76 HPGD (0.49) MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL28493442 0.72 KMT2A (0.49) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL7677604 0.66 EDNRA (1.00) EDNRAEDNRB
SCHEMBL19392334 0.64 KMT2A (0.75) MEN1KMT2ASMN1; SMN2MAPTPOLB
SCHEMBL10022415 0.63 ALOX5 (0.44) CHEK2
SCHEMBL19127455 0.62 TSHR (0.69) MEN1KMT2ACHEK2SMN1; SMN2MAPT
Acetic Acid SCHEMBL28970013 0.62 TSHR (0.69) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
Propane SCHEMBL7392630 0.62 TSHR (0.69) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL2846313 0.62 ADRB3 (0.47) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL10073975 0.62 MAPT (0.57) MEN1KMT2ASMN1; SMN2MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070207989-A1 DITERPENE DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR, CANCER AND INFLAMMATORY DISEASES SAVIPU PHARMACEUTICALS (US) 2007-09-06 — — 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-20070207989-A1 DITERPENE DERIVATIVES FOR THE TREATMENT OF CARDIOVASCULAR, CANCER AND INFLAMMATORY DISEASES NFKBIA, EDNRA, EDNRB EDNRA 2/4885EDNRB 3/4885MEN1 3639/4885

“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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